Geometry & MOs

Info

ID:	421937
PubChem CID:	135116872
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	336.160456
ΔH_f, kcal/mol:	-5.59
Dipole, Da:	8.11
IP(EA), eV:	-8.92(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-(3-chloro-5-methylphenyl)methanone

Drug info:

PubChemData

Smile

CCN1C=CN=C1CN(C)C(=O)C2=C(ON=C2N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations