Geometry & MOs

Info

ID:	160797
PubChem CID:	57389804
Reduced:	ON7C22H23 (1)
Stoich.:	AB7C22D23 (1)
Weight, g/mol:	332.115237
ΔH_f, kcal/mol:	115.35
Dipole, Da:	4.52
IP(EA), eV:	-8.87(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloropyridin-3-yl)amino]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCN(CCN1C=C(C=N1)C2=CC=CC=N2)C(=O)C3=C(C=CC(=C3)C)N4N=CC=N4

DOS

IR

Vibrations