Geometry & MOs

Info

ID:	369096
PubChem CID:	127331256
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	312.104482
ΔH_f, kcal/mol:	-88.35
Dipole, Da:	2.73
IP(EA), eV:	-8.55(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C(C1)NC(=O)NC2CSC3=CC=CC=C23)O

DOS

IR

Vibrations