Geometry & MOs

Info

ID:	338139
PubChem CID:	127258831
Reduced:	NO2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-100.33
Dipole, Da:	1.76
IP(EA), eV:	-8.96(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-di(propan-2-yl)phenyl] N-[(E)-prop-1-enyl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations