Geometry & MOs

Info

ID:	122738
PubChem CID:	50819941
Reduced:	N4O4C23H28 (1)
Stoich.:	A4B4C23D28 (1)
Weight, g/mol:	436.14776
ΔH_f, kcal/mol:	-89.02
Dipole, Da:	4.83
IP(EA), eV:	-8.78(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(3-chloro-2-methylphenyl)-N'-(2-morpholin-4-ylethyl)carbamimidoyl]-3,4-difluorobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=NCCN2CCOCC2)NC(=O)C3=CC4=C(C=C3)OCO4)C

DOS

IR

Vibrations