Geometry & MOs

Info

ID:	364116
PubChem CID:	127314062
Reduced:	SN3O3C17H23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	303.20591
ΔH_f, kcal/mol:	-91.29
Dipole, Da:	3.04
IP(EA), eV:	-9.9(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methylpiperidin-1-yl)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)N3CCC4=CN=CN=C4C3)C

DOS

IR

Vibrations