Geometry & MOs

Info

ID:	420052
PubChem CID:	135110902
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	318.241962
ΔH_f, kcal/mol:	-25.89
Dipole, Da:	4.43
IP(EA), eV:	-9.07(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(O1)C(=O)N)CN(C)CC2=NOC(=C2)C3=CC=CC=C3

DOS

IR

Vibrations