Geometry & MOs

Info

ID:	71691
PubChem CID:	48415210
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	364.15537
ΔH_f, kcal/mol:	23.21
Dipole, Da:	8.07
IP(EA), eV:	-8.89(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(3-chloro-5-methoxy-4-propoxyphenyl)methanone

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCC#C)[N+](=O)[O-]

DOS

IR

Vibrations