Geometry & MOs

Info

ID:	160724
PubChem CID:	57389564
Reduced:	FON5H24C25 (1)
Stoich.:	ABC5D24E25 (1)
Weight, g/mol:	331.119988
ΔH_f, kcal/mol:	32.95
Dipole, Da:	7.04
IP(EA), eV:	-8.97(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations