Geometry & MOs

Info

ID:	423379
PubChem CID:	135119397
Reduced:	NO3S3C15H17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	382.273262
ΔH_f, kcal/mol:	-64.5
Dipole, Da:	7.33
IP(EA), eV:	-9.09(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)S(=O)(=O)C3=CC=CS3)C4=C1C=CS4

DOS

IR

Vibrations