Geometry & MOs

Info

ID:	315205
PubChem CID:	126624991
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	513.237604
ΔH_f, kcal/mol:	-59.5
Dipole, Da:	4.71
IP(EA), eV:	-7.99(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-hydroxy-2,3-dihydropyrrol-2-yl]ethyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC[C@@H]1C(C(=C(N1C2=CC(=CC(=C2)OC)OC)NC)C3=NC4=CC=CC=C4N3)O

DOS

IR

Vibrations