Geometry & MOs

Info

ID:	122745
PubChem CID:	50820275
Reduced:	N3O4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	430.177168
ΔH_f, kcal/mol:	-113.2
Dipole, Da:	5.88
IP(EA), eV:	-8.09(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(5-chloro-2-methoxyphenyl)-N'-(2-morpholin-4-ylethyl)carbamimidoyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=NCC2CCCO2)NC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations