Geometry & MOs

Info

ID:

445927

PubChem CID:

135269948

Reduced:

O2N7C24H31 (1)

Stoich.:

A2B7C24D31 (1)

Weight, g/mol:

496.287198

ΔHf, kcal/mol:

91.27

Dipole, Da:

8.72

IP(EA), eV:

 -8.02(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1,6-dimethyl-3-(3-methyl-4-propan-2-ylsulfinylphenyl)-2H-pyrazin-5-yl]-N-methyl-1-[[5-(methylaminomethyl)cyclohepta-1,3,6-trien-1-yl]methoxy]methanamine

Drug info:

PubChemData

Smile

CNC(C1=C(N(CC(=N1)C2=CC=C(C=C2)C(=O)NCCN=O)C)N)NCC3=CC=CCC=C3

DOS

IR

Vibrations