Geometry & MOs

Info

ID:	71514
PubChem CID:	48414981
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	335.199762
ΔH_f, kcal/mol:	-69.76
Dipole, Da:	5.3
IP(EA), eV:	-8.71(-0.29)
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-3-yl)methanone

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CCC#C)NC(=O)C

DOS

IR

Vibrations