Geometry & MOs

Info

ID:	129935
PubChem CID:	51074313
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-34.5
Dipole, Da:	4.35
IP(EA), eV:	-8.7(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone

Drug info:

PubChemData

Smile

CN(CC1=CC2=C(C=C1)OCO2)C(=O)CN3C=CC=N3

DOS

IR

Vibrations