Geometry & MOs

Info

ID:	395924
PubChem CID:	135026905
Reduced:	NC10H21 (2)
Stoich.:	AB10C21 (2)
Weight, g/mol:	331.214744
ΔH_f, kcal/mol:	-67.05
Dipole, Da:	1.85
IP(EA), eV:	-8.16(2.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R,4R)-3-hydroxy-4-methyl-1-(4-methylphenyl)hept-5-yn-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)CCN(C)[C@@H]1CCCCC1N(C)CCC(C)(C)C

DOS

IR

Vibrations