Geometry & MOs

Info

ID:	160817
PubChem CID:	57389887
Reduced:	ON5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	348.169859
ΔH_f, kcal/mol:	28.98
Dipole, Da:	1.98
IP(EA), eV:	-8.98(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)C(=O)N1CCC2=NC(=NC=C2C1)NC3=CC=CC(=C3)C#N

DOS

IR

Vibrations