Geometry & MOs

Info

ID:	71463
PubChem CID:	48414918
Reduced:	OSN5C21H23 (1)
Stoich.:	ABC5D21E23 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	108.63
Dipole, Da:	3.56
IP(EA), eV:	-9.01(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-but-3-ynylpiperazine-1-carbonyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C=NN(C2=N1)CC3=CC=CS3)C(=O)N4CCN(CC4)CCC#C

DOS

IR

Vibrations