Geometry & MOs

Info

ID:	364137
PubChem CID:	127314310
Reduced:	SN3O4C11H21 (1)
Stoich.:	AB3C4D11E21 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	-162.05
Dipole, Da:	5.46
IP(EA), eV:	-9.67(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(COC1)CNC(=O)NCCN2CCCS2(=O)=O

DOS

IR

Vibrations