Geometry & MOs

Info

ID:

81191

PubChem CID:

49854448

Reduced:

O2N7C30H43 (1)

Stoich.:

A2B7C30D43 (1)

Weight, g/mol:

547.363474

ΔHf, kcal/mol:

-25.6

Dipole, Da:

1.56

IP(EA), eV:

 -8.67(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methyl]-8-pentan-3-yl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC)N1CCC2(CC1)CC(N(C2)CC3=CC=C(C=C3)CN(CC4=NC=CN4)CC5=NC=CN5)C(=O)O

DOS

IR

Vibrations