Geometry & MOs

Info

ID:	70800
PubChem CID:	48413888
Reduced:	ON3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-19.03
Dipole, Da:	7.09
IP(EA), eV:	-9.34(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CC2=CC=C(C=C2)CC(C)C

DOS

IR

Vibrations