Geometry & MOs

Info

ID:	74552
PubChem CID:	48422075
Reduced:	SO2N3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	-37.73
Dipole, Da:	1.31
IP(EA), eV:	-8.8(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C2=NC=CS2)OCC3CC3

DOS

IR

Vibrations