Geometry & MOs

Info

ID:	54315
PubChem CID:	16978355
Reduced:	O2N4C29H32 (1)
Stoich.:	A2B4C29D32 (1)
Weight, g/mol:	395.184506
ΔH_f, kcal/mol:	-18.02
Dipole, Da:	4.32
IP(EA), eV:	-8.72(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]acetate

Drug info:

PubChemData

Smile

CC(C)N(C1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3N=C2CCNC(=O)CCC4=CC=CC=C4

DOS

IR

Vibrations