Geometry & MOs

Info

ID:	349773
PubChem CID:	127276165
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	328.171082
ΔH_f, kcal/mol:	-47.12
Dipole, Da:	2.72
IP(EA), eV:	-8.71(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(oxan-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC(COC1)C(=O)NC2=CC3=C(C=C2)N=CN3

DOS

IR

Vibrations