Geometry & MOs

Info

ID:	245513
PubChem CID:	99453647
Reduced:	O2N3H21C25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	492.216141
ΔH_f, kcal/mol:	19.91
Dipole, Da:	6.41
IP(EA), eV:	-9.0(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[furan-2-ylmethyl-[3-(1-phenylbenzimidazol-2-yl)propanoyl]amino]methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CN(CC1=CC2=CC=CC=C2C=C1)C(=O)C3=CC(=CC=C3)NC(=O)C4=CN=CC=C4

DOS

IR

Vibrations