Geometry & MOs

Info

ID:	381370
PubChem CID:	134972087
Reduced:	PN2O6C40H40 (1)
Stoich.:	AB2C6D40E40 (1)
Weight, g/mol:	284.173607
ΔH_f, kcal/mol:	-152.12
Dipole, Da:	2.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771321
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[(1E)-cycloocten-1-yl]-N-(ethoxycarbonylamino)carbamate

Drug info:

PubChemData

Smile

CC(C)OC(=O)N(C(C1=CC=CC=C1)(C(=O)C2=CC=CC=C2)O)N(C(=O)OC(C)C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations