Geometry & MOs

Info

ID:	178925
PubChem CID:	76401971
Reduced:	O2N5C18H25 (1)
Stoich.:	A2B5C18D25 (1)
Weight, g/mol:	337.19026
ΔH_f, kcal/mol:	-33.08
Dipole, Da:	6.01
IP(EA), eV:	-8.53(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylanilino)-5-pyridin-3-yl-2,3,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)C3CCNN3C=N2

DOS

IR

Vibrations