Geometry & MOs

Info

ID:	71761
PubChem CID:	48415336
Reduced:	BrN2O2C18H23 (1)
Stoich.:	AB2C2D18E23 (1)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	-13.47
Dipole, Da:	5.27
IP(EA), eV:	-8.89(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-but-3-ynylpiperazine-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)CCC#C)Br

DOS

IR

Vibrations