Geometry & MOs

Info

ID:	130933
PubChem CID:	51131120
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	-92.7
Dipole, Da:	2.52
IP(EA), eV:	-8.82(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(N'-benzylcarbamimidoyl)amino]propyl]benzamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)N(C)CCC#N

DOS

IR

Vibrations