Geometry & MOs

Info

ID:	347055
PubChem CID:	127271559
Reduced:	F2O2N4C11H16 (1)
Stoich.:	A2B2C4D11E16 (1)
Weight, g/mol:	384.20853
ΔH_f, kcal/mol:	-160.52
Dipole, Da:	2.61
IP(EA), eV:	-9.67(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(4-methylpiperazine-1-carbonyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCOC1)C(=O)NCC2=NC=CN2C(F)F

DOS

IR

Vibrations