Geometry & MOs

Info

ID:	71759
PubChem CID:	48415334
Reduced:	ON5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	335.199762
ΔH_f, kcal/mol:	43.39
Dipole, Da:	2.72
IP(EA), eV:	-8.73(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2CCCN(C2)C3=NC=CC=N3

DOS

IR

Vibrations