Geometry & MOs

Info

ID:	348166
PubChem CID:	127273228
Reduced:	ON3C17H33 (1)
Stoich.:	AB3C17D33 (1)
Weight, g/mol:	369.150012
ΔH_f, kcal/mol:	-100.96
Dipole, Da:	3.07
IP(EA), eV:	-8.58(1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-difluorobenzoyl)-N-(1,4-dioxan-2-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C(=O)NC2CCN(CC2)C(C)(C)C)C

DOS

IR

Vibrations