Geometry & MOs

Info

ID:	26427
PubChem CID:	647529
Reduced:	NOC10H12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-45.5
Dipole, Da:	3.58
IP(EA), eV:	-8.32(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide

Drug info:

PubChemData

Smile

C1CC(OC1)CNCC(CN2C3=CC=CC=C3C4=CC=CC=C42)O

DOS

IR

Vibrations