Geometry & MOs

Info

ID:	198962
PubChem CID:	79178935
Reduced:	NO5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	199.193614
ΔH_f, kcal/mol:	-197.45
Dipole, Da:	9.81
IP(EA), eV:	-9.59(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(tert-butylamino)-3,5-dimethylhex-4-en-3-ol

Drug info:

PubChemData

Smile

CC1C(C(=O)N(C1=O)CCOC2=CC=C(C=C2)C(=O)O)C

DOS

IR

Vibrations