Geometry & MOs

Info

ID:	71591
PubChem CID:	48415084
Reduced:	N2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	302.163043
ΔH_f, kcal/mol:	-39.84
Dipole, Da:	1.82
IP(EA), eV:	-8.86(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations