Geometry & MOs

Info

ID:	122699
PubChem CID:	50817676
Reduced:	ClN3O4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	371.140055
ΔH_f, kcal/mol:	-116.73
Dipole, Da:	3.73
IP(EA), eV:	-8.74(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(3-chlorophenyl)-N'-(oxolan-2-ylmethyl)carbamimidoyl]-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=NCC2CCCO2)NC(=O)C3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations