Geometry & MOs

Info

ID:	122696
PubChem CID:	50817376
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-40.85
Dipole, Da:	4.7
IP(EA), eV:	-8.47(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamido-N-[N-(4-methylphenyl)-N'-(oxolan-2-ylmethyl)carbamimidoyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=NCC2CCCO2)NC(=O)C3=CC=CC(=C3)C

DOS

IR

Vibrations