Geometry & MOs

Info

ID:	381126
PubChem CID:	134971774
Reduced:	NO2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	201.136493
ΔH_f, kcal/mol:	-186.47
Dipole, Da:	2.4
IP(EA), eV:	-8.4(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E,3R,4R,5S)-4,6-dihydroxy-3,5-dimethylhex-1-enyl]-N-methylformamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC)N(CC1=CC=CC=C1N)C(=O)OC(C)(C)C

DOS

IR

Vibrations