Geometry & MOs

Info

ID:	178594
PubChem CID:	76353985
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	430.24811
ΔH_f, kcal/mol:	-66.14
Dipole, Da:	7.43
IP(EA), eV:	-8.4(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1H-benzimidazol-2-yl)-1,4-diazepane-1-carbonyl]-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=C2CCCN(C2=C(C=C1)OC)C(=O)C=CC3=CC=C(C=C3)C(=O)NC

DOS

IR

Vibrations