Geometry & MOs

Info

ID:	155560
PubChem CID:	56365896
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	439.244662
ΔH_f, kcal/mol:	-119.77
Dipole, Da:	2.87
IP(EA), eV:	-8.17(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3=C4C(=CC=C3)OCO4

DOS

IR

Vibrations