Geometry & MOs

Info

ID:	75588
PubChem CID:	48423705
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	-102.37
Dipole, Da:	2.95
IP(EA), eV:	-8.9(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CC(=CC=C1)OC)OCC2CC2

DOS

IR

Vibrations