Geometry & MOs

Info

ID:	139636
PubChem CID:	52573133
Reduced:	ClNO4C21H22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	365.171497
ΔH_f, kcal/mol:	-135.49
Dipole, Da:	5.21
IP(EA), eV:	-9.14(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(4-phenylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C1=CC(=CC=C1)Cl)NC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations