Geometry & MOs

Info

ID:	122733
PubChem CID:	50819483
Reduced:	FO2N4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	398.211804
ΔH_f, kcal/mol:	-67.94
Dipole, Da:	6.37
IP(EA), eV:	-8.6(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(2,3-dimethylphenyl)-N'-(2-morpholin-4-ylethyl)carbamimidoyl]-3-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC(=NCCN2CCOCC2)NC3=CC=C(C=C3)F

DOS

IR

Vibrations