Geometry & MOs

Info

ID:	405268
PubChem CID:	135073317
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	-17.71
Dipole, Da:	3.11
IP(EA), eV:	-9.35(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-but-2-ynyl-N-prop-2-enylcarbamate

Drug info:

PubChemData

Smile

CC(=C)CN(CC#CC1=CC=CC=C1)C(=O)OC

DOS

IR

Vibrations