Geometry & MOs

Info

ID:	130391
PubChem CID:	51075804
Reduced:	NSO4C12H15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	-117.04
Dipole, Da:	8.23
IP(EA), eV:	-10.0(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CC1N(C2CCS(=O)(=O)C2)C(=O)C3=COC=C3

DOS

IR

Vibrations