Geometry & MOs

Info

ID:	200216
PubChem CID:	79363999
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	-152.26
Dipole, Da:	3.12
IP(EA), eV:	-9.96(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-ethyl-2-methylpyrazole-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(CCN1C(=O)C2=CC=C(C=C2)C(=O)N)C(=O)O

DOS

IR

Vibrations