Geometry & MOs

Info

ID:	71430
PubChem CID:	48414846
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-12.69
Dipole, Da:	5.06
IP(EA), eV:	-8.76(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations