Geometry & MOs

Info

ID:	184339
PubChem CID:	77147509
Reduced:	N2O5H26C30 (1)
Stoich.:	A2B5C26D30 (1)
Weight, g/mol:	467.08445
ΔH_f, kcal/mol:	-73.56
Dipole, Da:	2.74
IP(EA), eV:	-9.36(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1CN2C(COC2=O)C3=CC=CC=C3)C4=CC=CC=C4C5=CC=C(C=C5)C6(CC6)C(=O)O

DOS

IR

Vibrations