Geometry & MOs

Info

ID:	415284
PubChem CID:	135088276
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	302.235814
ΔH_f, kcal/mol:	-145.69
Dipole, Da:	7.21
IP(EA), eV:	-9.13(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-7-[(2,6-dimethylphenyl)methyl]-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(C=CN1C)C(=O)N2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations