Geometry & MOs

Info

ID:	165011
PubChem CID:	74484525
Reduced:	ClON2C19H28 (1)
Stoich.:	ABC2D19E28 (1)
Weight, g/mol:	279.075625
ΔH_f, kcal/mol:	-52.99
Dipole, Da:	9.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.033023
Charge, e:	0

Chem-info

IUPAC name:

7-amino-2,4-dioxo-5-phenyl-4aH-pyrido[2,3-d]pyrimidine-6-carbonitrile

Drug info:

PubChemData

Smile

CC1CC(C2CC(C(=O)NC2C1)C[NH2+]CC3=CC=CC=C3Cl)C

DOS

IR

Vibrations