Geometry & MOs

Info

ID:	330117
PubChem CID:	127247104
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	299.163377
ΔH_f, kcal/mol:	-51.94
Dipole, Da:	5.53
IP(EA), eV:	-9.0(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxy-5-methylphenyl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC=NN2)C(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations