Geometry & MOs

Info

ID:	401137
PubChem CID:	135050281
Reduced:	NO2C30H31 (1)
Stoich.:	AB2C30D31 (1)
Weight, g/mol:	285.230394
ΔH_f, kcal/mol:	-0.32
Dipole, Da:	2.6
IP(EA), eV:	-8.28(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z,3S,4R)-4-hydroxy-3-methyloct-1-enyl] N,N-di(propan-2-yl)carbamate

Drug info:

PubChemData

Smile

CC/C=C/COC(=NC1=C(C2=CC=CC=C2C=C1C)C3=C(C=CC4=CC=CC=C43)OC)CC

DOS

IR

Vibrations