Geometry & MOs

Info

ID:

325659

PubChem CID:

126684388

Reduced:

O2N3C17H23 (1)

Stoich.:

A2B3C17D23 (1)

Weight, g/mol:

688.372849

ΔHf, kcal/mol:

-61.85

Dipole, Da:

6.16

IP(EA), eV:

 -9.32(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,5-diamino-N-[N'-[4-[4-[2-amino-2-[[4-[3-(dimethylamino)propyl]phenyl]carbamoyl]but-3-enyl]-5,6,7,8-tetrahydronaphthalen-1-yl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)CCCC1=NC2=C(C=CC=N2)C=C1

DOS

IR

Vibrations