Geometry & MOs

Info

ID:	74673
PubChem CID:	48422273
Reduced:	NSO2C17H25 (1)
Stoich.:	ABC2D17E25 (1)
Weight, g/mol:	374.184172
ΔH_f, kcal/mol:	-71.89
Dipole, Da:	3.73
IP(EA), eV:	-8.53(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SCCNC(=O)C(C)OCC2CC2)C

DOS

IR

Vibrations