Geometry & MOs

Info

ID:	183922
PubChem CID:	77090387
Reduced:	ON3C21H29 (1)
Stoich.:	AB3C21D29 (1)
Weight, g/mol:	311.199762
ΔH_f, kcal/mol:	-15.48
Dipole, Da:	5.1
IP(EA), eV:	-9.05(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[(1-phenylcyclohexyl)methyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN(C2CCCCC2)C(=O)C3=NN(C=C3)C(C)C

DOS

IR

Vibrations