Geometry & MOs

Info

ID:	174492
PubChem CID:	75772709
Reduced:	FO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	401.191483
ΔH_f, kcal/mol:	-101.2
Dipole, Da:	5.7
IP(EA), eV:	-8.97(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-3-(6-oxo-2-phenyl-4-propan-2-yl-1,3-diazinan-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)C1CC(=O)N(C(N1)C2=CC=CC=C2)CCC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations