Geometry & MOs

Info

ID:	192826
PubChem CID:	78316710
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-48.74
Dipole, Da:	4.74
IP(EA), eV:	-9.13(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-hydroxy-3-prop-2-enoxypropyl)-2-[(2-methylphenyl)methyl]-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC2=NC(=O)C(C=C2C=C1)CCNC(=O)C3=CC(=CC=C3)OC

DOS

IR

Vibrations