Geometry & MOs

Info

ID:	420448
PubChem CID:	135113186
Reduced:	O5N6C32H38 (1)
Stoich.:	A5B6C32D38 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-122.57
Dipole, Da:	5.09
IP(EA), eV:	-8.22(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-1-methylbenzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)CC(=O)N3CCOC4=C(C=CC(=C4)C5=NC=CN5CCNC(=O)[C@H](NC(=O)C3)C(C)C)OC

DOS

IR

Vibrations