Geometry & MOs

Info

ID:	422690
PubChem CID:	135118253
Reduced:	N2O5C20H28 (1)
Stoich.:	A2B5C20D28 (1)
Weight, g/mol:	374.187339
ΔH_f, kcal/mol:	-165.02
Dipole, Da:	5.28
IP(EA), eV:	-8.94(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)[C@@H]1[C@H](N(C(=O)CO1)C2CC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations