Geometry & MOs

Info

ID:	160676
PubChem CID:	57389406
Reduced:	ON5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	33.2
Dipole, Da:	6.67
IP(EA), eV:	-8.99(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(3-methylanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations