Geometry & MOs

Info

ID:	177179
PubChem CID:	76143775
Reduced:	NO3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	321.194008
ΔH_f, kcal/mol:	-178.37
Dipole, Da:	2.98
IP(EA), eV:	-9.68(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(5-hydroxy-4-methyl-1-phenylmethoxypent-3-en-2-yl)carbamate

Drug info:

PubChemData

Smile

CC(C)C(C=C(C)CO)NC(=O)OC(C)(C)C

DOS

IR

Vibrations