Geometry & MOs

Info

ID:	71743
PubChem CID:	48415303
Reduced:	FON4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	375.194677
ΔH_f, kcal/mol:	2.93
Dipole, Da:	5.54
IP(EA), eV:	-8.46(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(4-but-3-ynylpiperazine-1-carbonyl)-2-methylphenyl]benzamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=C3CCCCCN3C(=N2)C4=CC=C(C=C4)F

DOS

IR

Vibrations