Geometry & MOs

Info

ID:	71637
PubChem CID:	48415143
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-28.64
Dipole, Da:	4.89
IP(EA), eV:	-8.99(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2CCN(CC2)C(=O)C3CC3

DOS

IR

Vibrations