Geometry & MOs

Info

ID:	255157
PubChem CID:	103130417
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	226.110613
ΔH_f, kcal/mol:	-26.97
Dipole, Da:	5.2
IP(EA), eV:	-9.7(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1H-inden-1-yl-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1(CCC(CC1)C(=O)C2=NN(C=C2)C)C

DOS

IR

Vibrations