Geometry & MOs

Info

ID:	423709
PubChem CID:	135120057
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	342.172562
ΔH_f, kcal/mol:	18.42
Dipole, Da:	2.29
IP(EA), eV:	-9.16(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)CN2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations