Geometry & MOs

Info

ID:	405689
PubChem CID:	135075010
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	319.157229
ΔH_f, kcal/mol:	-27.74
Dipole, Da:	5.62
IP(EA), eV:	-9.81(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (NZ)-N-(1-phenylhept-2-ynylidene)carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations