Geometry & MOs

Info

ID:	131299
PubChem CID:	51187622
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	323.199762
ΔH_f, kcal/mol:	-46.42
Dipole, Da:	4.26
IP(EA), eV:	-8.95(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylcyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C(=O)C3CC4=CC=CC=C4C(=O)O3

DOS

IR

Vibrations