Geometry & MOs

Info

ID:	416440
PubChem CID:	135089453
Reduced:	O2N5C16H27 (1)
Stoich.:	A2B5C16D27 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	-32.28
Dipole, Da:	2.67
IP(EA), eV:	-8.63(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[(1-butylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C2CC(=NO2)C(C)C

DOS

IR

Vibrations