Geometry & MOs

Info

ID:	61513
PubChem CID:	26710108
Reduced:	N3O5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	379.069924
ΔH_f, kcal/mol:	-137.45
Dipole, Da:	8.87
IP(EA), eV:	-8.48(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations