Geometry & MOs

Info

ID:	122743
PubChem CID:	50820058
Reduced:	ClO3N4C22H25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	396.179755
ΔH_f, kcal/mol:	-88.71
Dipole, Da:	4.21
IP(EA), eV:	-8.71(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N'-(2-morpholin-4-ylethyl)-N-phenylcarbamimidoyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations