Geometry & MOs

Info

ID:	405690
PubChem CID:	135075011
Reduced:	NO2C21H21 (1)
Stoich.:	AB2C21D21 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	6.21
Dipole, Da:	5.0
IP(EA), eV:	-9.47(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (NZ)-N-[1-(4-methoxyphenyl)hept-2-ynylidene]carbamate

Drug info:

PubChemData

Smile

CCCCC#C/C(=N\C(=O)OCC1=CC=CC=C1)/C2=CC=CC=C2

DOS

IR

Vibrations