Geometry & MOs

Info

ID:	71423
PubChem CID:	48414837
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	270.173213
ΔH_f, kcal/mol:	-84.07
Dipole, Da:	1.63
IP(EA), eV:	-8.92(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(2,5-dimethylphenyl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CN2C(=O)C3CCCCC3C2=O

DOS

IR

Vibrations