Geometry & MOs

Info

ID:	74517
PubChem CID:	48421986
Reduced:	SN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	308.155849
ΔH_f, kcal/mol:	-80.27
Dipole, Da:	1.39
IP(EA), eV:	-8.91(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=CSC=C3

DOS

IR

Vibrations