Geometry & MOs

Info

ID:	129683
PubChem CID:	51073553
Reduced:	O3N4H14C16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	301.121512
ΔH_f, kcal/mol:	20.84
Dipole, Da:	9.08
IP(EA), eV:	-8.96(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(naphthalen-1-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CC(=O)N3C=CC=CC3=N2

DOS

IR

Vibrations