Geometry & MOs

Info

ID:	170935
PubChem CID:	75303631
Reduced:	FO3N4C20H24 (2)
Stoich.:	AB3C4D20E24 (2)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	-293.13
Dipole, Da:	5.91
IP(EA), eV:	-8.95(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)-5-[methyl(propanoyl)amino]-N-(1-morpholin-4-ylpropan-2-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C2=NC3=C(N2)C=C(C=C3)C4=CC=C(C=C4)C=CC5=CN=C(N5)C6CC(CN6C(=O)C(C(C)C)NC(=O)OC)(F)F)NC(=O)OC

DOS

IR

Vibrations