Geometry & MOs

Info

ID:	414364
PubChem CID:	135087320
Reduced:	ClO3N4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	292.226312
ΔH_f, kcal/mol:	-91.64
Dipole, Da:	7.15
IP(EA), eV:	-9.66(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N(CCO)CC2=NC=CN2)C(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations