Geometry & MOs

Info

ID:	167256
PubChem CID:	74798866
Reduced:	SN2O2C21H29 (1)
Stoich.:	AB2C2D21E29 (1)
Weight, g/mol:	477.226858
ΔH_f, kcal/mol:	-60.11
Dipole, Da:	2.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.976428
Charge, e:	1

Chem-info

IUPAC name:

N-[[8-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-oxa-8-azoniaspiro[4.5]decan-2-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCC[NH+](C1)CC2=CN=C(S2)C)CC3=CC=CC=C3C

DOS

IR

Vibrations