Geometry & MOs

Info

ID:	419088
PubChem CID:	135107458
Reduced:	O2N4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-15.71
Dipole, Da:	3.03
IP(EA), eV:	-8.92(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4aS,8aS)-4a-(hydroxymethyl)-7-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CN(CCC1(C2=CC=CC=C2)C(=O)N(CCO)CC3=NC=CN3)CC4=CC=CC=C4

DOS

IR

Vibrations