Geometry & MOs

Info

ID:	192277
PubChem CID:	78251970
Reduced:	ClSN2O3H21C25 (1)
Stoich.:	ABC2D3E21F25 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	-45.83
Dipole, Da:	6.31
IP(EA), eV:	-8.97(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-1'-propan-2-ylspiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C3=C(C(=O)N2C4=NC5=C(S4)C=C(C=C5)Cl)OC6CCCCC6C3=O

DOS

IR

Vibrations