Geometry & MOs

Info

ID:	310591
PubChem CID:	126583306
Reduced:	BrNO3C19H30 (1)
Stoich.:	ABC3D19E30 (1)
Weight, g/mol:	514.13463
ΔH_f, kcal/mol:	-105.3
Dipole, Da:	4.08
IP(EA), eV:	-9.34(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[[cyclopropyl(morpholine-2-carbonyl)amino]methyl]-6-[4-methoxybutyl(methyl)amino]benzenecarboximidoyl bromide

Drug info:

PubChemData

Smile

CC(C)C/C(=C\C/C(=C\C(=C)OCCCO)/CN(C=O)C1CC1)/Br

DOS

IR

Vibrations