Geometry & MOs

Info

ID:	160768
PubChem CID:	57389724
Reduced:	FON6C25H25 (1)
Stoich.:	ABC6D25E25 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	77.86
Dipole, Da:	2.0
IP(EA), eV:	-8.96(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N(CCN3C=CC(=N3)C4=CC=C(C=C4)F)CC5CC5

DOS

IR

Vibrations