Geometry & MOs

Info

ID:	338108
PubChem CID:	127258800
Reduced:	NSO2C17H25 (1)
Stoich.:	ABC2D17E25 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-86.84
Dipole, Da:	3.5
IP(EA), eV:	-8.59(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylphenyl) N-[(E)-oct-1-enyl]carbamate

Drug info:

PubChemData

Smile

CCCCCC/C=C/NC(=O)OC1=CC(=C(C=C1)SC)C

DOS

IR

Vibrations