Geometry & MOs

Info

ID:	71563
PubChem CID:	48415049
Reduced:	N2O3C19H26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	401.231456
ΔH_f, kcal/mol:	-54.38
Dipole, Da:	4.02
IP(EA), eV:	-8.51(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-but-3-ynylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCC#C)OC

DOS

IR

Vibrations