Geometry & MOs

Info

ID:	423850
PubChem CID:	135120496
Reduced:	O4N5C27H33 (1)
Stoich.:	A4B5C27D33 (1)
Weight, g/mol:	382.205656
ΔH_f, kcal/mol:	-54.7
Dipole, Da:	6.61
IP(EA), eV:	-8.48(-0.35)
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-(3-fluorophenyl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=C2C=C(C=C1)C(=O)NCC3CCCN(C3)CC4=C(C(=CC=C4)OC)OCC5=CN(CCO2)N=N5

DOS

IR

Vibrations