Geometry & MOs

Info

ID:	167281
PubChem CID:	74802850
Reduced:	FO2N3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	409.216555
ΔH_f, kcal/mol:	-61.09
Dipole, Da:	6.73
IP(EA), eV:	-8.8(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-(dimethylamino)benzoyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-(4-fluorophenyl)methanone

Drug info:

PubChemData

Smile

CC1CN(CC2=C(O1)C=C(C=C2)OC)CC3CNNC3C4=CC=C(C=C4)F

DOS

IR

Vibrations