Geometry & MOs

Info

ID:	415685
PubChem CID:	135088684
Reduced:	ClN2O3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	344.246378
ΔH_f, kcal/mol:	-126.66
Dipole, Da:	2.7
IP(EA), eV:	-9.45(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCN(CC2)C(=O)CCOC)Cl

DOS

IR

Vibrations