Geometry & MOs

Info

ID:	48402
PubChem CID:	10544853
Reduced:	N2O2C21H24 (1)
Stoich.:	A2B2C21D24 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	-33.87
Dipole, Da:	1.52
IP(EA), eV:	-8.21(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methoxyphenyl)piperazin-1-yl]-[(1S,2S)-2-phenylcyclopropyl]methanone

Drug info:

PubChemData

Smile

CN1CC(=C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)COC(=O)C5CCC5

DOS

IR

Vibrations