Geometry & MOs

Info

ID:	354554
PubChem CID:	127287168
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	331.161995
ΔH_f, kcal/mol:	-16.76
Dipole, Da:	6.49
IP(EA), eV:	-8.95(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C2=CC=C(C=C2)CCNC(=O)N3CCN4CCCCC4C3

DOS

IR

Vibrations