Geometry & MOs

Info

ID:	379409
PubChem CID:	134419358
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	257.235479
ΔH_f, kcal/mol:	-88.39
Dipole, Da:	2.93
IP(EA), eV:	-10.13(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-3,3-dimethylbutan-2-yl] N-octylcarbamate

Drug info:

PubChemData

Smile

C[C@H](C(C)(C)C)OC(=O)NCC1=CC=NC=C1

DOS

IR

Vibrations