Geometry & MOs

Info

ID:	355718
PubChem CID:	127289791
Reduced:	OSN5C19H25 (1)
Stoich.:	ABC5D19E25 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	22.02
Dipole, Da:	5.63
IP(EA), eV:	-9.23(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N(C1CCCCC1)C2=NC=CS2)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations