Geometry & MOs

Info

ID:	160675
PubChem CID:	57389404
Reduced:	OF2N5H21C24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	335.17461
ΔH_f, kcal/mol:	-3.85
Dipole, Da:	7.82
IP(EA), eV:	-8.81(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(2,2-dimethylpropanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]benzonitrile

Drug info:

PubChemData

Smile

CCN(CCN1C=CC(=N1)C2=CC=C(C=C2)F)C(=O)C3=C(C=CC(=C3)F)C4=NC=CC=N4

DOS

IR

Vibrations