Geometry & MOs

Info

ID:	122719
PubChem CID:	50818561
Reduced:	ClO3N4H21C23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	380.144868
ΔH_f, kcal/mol:	-39.24
Dipole, Da:	1.87
IP(EA), eV:	-9.24(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-difluoro-N-[N-(3-methylphenyl)-N'-(pyridin-3-ylmethyl)carbamimidoyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=NCC2=CN=CC=C2)NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations