Geometry & MOs

Info

ID:	50670
PubChem CID:	12013244
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-82.21
Dipole, Da:	5.38
IP(EA), eV:	-9.52(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,4aS)-4-(4-methylphenyl)-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H]2[C@@H]3CCCCN3C(=O)NC2=O

DOS

IR

Vibrations