Geometry & MOs

Info

ID:	293601
PubChem CID:	117394145
Reduced:	N2O2C15H16 (1)
Stoich.:	A2B2C15D16 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-20.5
Dipole, Da:	5.67
IP(EA), eV:	-9.02(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-(2-methyl-2,3-dihydro-1H-inden-5-yl)pyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2=CC=C(C=C2)C3(CCC3)C(=O)O

DOS

IR

Vibrations