Geometry & MOs

Info

ID:	423963
PubChem CID:	135120887
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	384.219512
ΔH_f, kcal/mol:	-70.05
Dipole, Da:	6.5
IP(EA), eV:	-8.8(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CCC(=O)N2C[C@H]([C@@H](C2)O)CC3=NNC(=C3)C)C

DOS

IR

Vibrations