Geometry & MOs

Info

ID:	405209
PubChem CID:	135073041
Reduced:	NPO5C20H30 (1)
Stoich.:	ABC5D20E30 (1)
Weight, g/mol:	369.17051
ΔH_f, kcal/mol:	-270.89
Dipole, Da:	2.04
IP(EA), eV:	-9.19(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(E)-1-diethoxyphosphoryl-3,3-dimethylbut-1-enyl]carbamate

Drug info:

PubChemData

Smile

CCOP(=O)(/C(=C/C1CCCCC1)/NC(=O)OCC2=CC=CC=C2)OCC

DOS

IR

Vibrations