Geometry & MOs

Info

ID:	177178
PubChem CID:	76143774
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	243.183444
ΔH_f, kcal/mol:	-141.78
Dipole, Da:	1.74
IP(EA), eV:	-9.33(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(6-hydroxy-2,5-dimethylhex-4-en-3-yl)carbamate

Drug info:

PubChemData

Smile

CC(=CC(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)CO

DOS

IR

Vibrations