Geometry & MOs

Info

ID:	305665
PubChem CID:	124964635
Reduced:	N2C9H13 (2)
Stoich.:	A2B9C13 (2)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	43.45
Dipole, Da:	3.11
IP(EA), eV:	-8.61(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-4-(oxane-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)N1CCC[C@@H](C1)CC2=CC(=NC=C2)C3=CC=NN3C

DOS

IR

Vibrations