Geometry & MOs

Info

ID:	350250
PubChem CID:	127277328
Reduced:	ON2C9H16 (2)
Stoich.:	AB2C9D16 (2)
Weight, g/mol:	384.17731
ΔH_f, kcal/mol:	-99.51
Dipole, Da:	6.38
IP(EA), eV:	-8.88(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylcyclopropyl)-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)CN2CCN(CC2)C(=O)NC3CC3C)C

DOS

IR

Vibrations