Geometry & MOs

Info

ID:	122741
PubChem CID:	50820056
Reduced:	N4O5C24H28 (1)
Stoich.:	A4B5C24D28 (1)
Weight, g/mol:	431.161184
ΔH_f, kcal/mol:	-152.09
Dipole, Da:	9.24
IP(EA), eV:	-7.95(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(4-chloro-2-methylphenyl)-N'-(oxolan-2-ylmethyl)carbamimidoyl]-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC(=NCC2CCCO2)NC3=CC4=C(C=C3)OCCO4)NC(=O)C

DOS

IR

Vibrations