Geometry & MOs

Info

ID:	418931
PubChem CID:	135107146
Reduced:	SO3N4C23H32 (1)
Stoich.:	AB3C4D23E32 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-133.65
Dipole, Da:	1.54
IP(EA), eV:	-8.87(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]

Drug info:

PubChemData

Smile

CC[C@@]1(C[C@H]2CC[C@@H]1N2C(=O)C(C)C)C(=O)NCCC3=NC4=C(C(=C(S4)C)C)C(=O)N3

DOS

IR

Vibrations