Geometry & MOs

Info

ID:	416000
PubChem CID:	135089005
Reduced:	FO2N4C17H23 (1)
Stoich.:	AB2C4D17E23 (1)
Weight, g/mol:	372.241293
ΔH_f, kcal/mol:	-69.66
Dipole, Da:	4.39
IP(EA), eV:	-9.29(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-4a-(hydroxymethyl)-1-prop-2-enyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-(4-propoxyphenyl)methanone

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C(COC)NC(=O)CN(C)CC2=CC=C(C=C2)F

DOS

IR

Vibrations