Geometry & MOs

Info

ID:	160847
PubChem CID:	57389969
Reduced:	ClON7C22H22 (1)
Stoich.:	ABC7D22E22 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	108.61
Dipole, Da:	4.76
IP(EA), eV:	-8.96(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-[2-[(6-methylpyridin-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations