Geometry & MOs

Info

ID:	157441
PubChem CID:	56424144
Reduced:	ON2F3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	434.156575
ΔH_f, kcal/mol:	-173.04
Dipole, Da:	5.07
IP(EA), eV:	-9.9(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(=O)NCC(C)(C)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations