Geometry & MOs

Info

ID:	173274
PubChem CID:	75616063
Reduced:	ON3C23H31 (1)
Stoich.:	AB3C23D31 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-7.19
Dipole, Da:	4.4
IP(EA), eV:	-8.18(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(azocan-1-yl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile

Drug info:

PubChemData

Smile

CC#CCN1C=C2CC(NC(C3=C2C1=CC=C3)CC(C)C)C(=O)NC(C)C

DOS

IR

Vibrations