Geometry & MOs

Info

ID:	121554
PubChem CID:	50773217
Reduced:	O3N4H22C23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	390.18559
ΔH_f, kcal/mol:	-16.02
Dipole, Da:	4.25
IP(EA), eV:	-9.14(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=NCC2=CC=NC=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C

DOS

IR

Vibrations