Geometry & MOs

Info

ID:

81194

PubChem CID:

49854451

Reduced:

O2N7C31H45 (1)

Stoich.:

A2B7C31D45 (1)

Weight, g/mol:

533.347824

ΔHf, kcal/mol:

-29.13

Dipole, Da:

6.64

IP(EA), eV:

 -8.82(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-2-[[4-[[bis(1H-imidazol-2-ylmethyl)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)C[C@H](N(C2)CC3=CC=C(C=C3)CN(CC4=NC=CN4)CC5=NC=CN5C)C(=O)O

DOS

IR

Vibrations