Geometry & MOs

Info

ID:	71482
PubChem CID:	48414940
Reduced:	SN3O3C21H29 (1)
Stoich.:	AB3C3D21E29 (1)
Weight, g/mol:	338.144199
ΔH_f, kcal/mol:	-59.82
Dipole, Da:	8.65
IP(EA), eV:	-8.88(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations