Geometry & MOs

Info

ID:	234683
PubChem CID:	92303301
Reduced:	O2N3C26H31 (1)
Stoich.:	A2B3C26D31 (1)
Weight, g/mol:	332.184841
ΔH_f, kcal/mol:	-35.18
Dipole, Da:	2.14
IP(EA), eV:	-9.1(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-butan-2-yl]-2-[(propan-2-ylcarbamoylamino)methyl]benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N(C[C@H]2CCCO2)CC3=NC=CN3CC4=C(C=CC(=C4)C)C

DOS

IR

Vibrations