Geometry & MOs

Info

ID:	121555
PubChem CID:	50773218
Reduced:	FON4C23H23 (1)
Stoich.:	ABC4D23E23 (1)
Weight, g/mol:	390.18559
ΔH_f, kcal/mol:	-2.31
Dipole, Da:	4.07
IP(EA), eV:	-8.81(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[N-(3-propan-2-ylphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC=C1)NC(=NCC2=CC=NC=C2)NC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations