Geometry & MOs

Info

ID:	333772
PubChem CID:	127252324
Reduced:	O2N5C16H21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	-48.89
Dipole, Da:	6.2
IP(EA), eV:	-9.49(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C1)C2=NC3=NC=NC(=C3C=C2)N

DOS

IR

Vibrations