Geometry & MOs

Info

ID:	189332
PubChem CID:	77841810
Reduced:	SN2O6C15H26 (1)
Stoich.:	AB2C6D15E26 (1)
Weight, g/mol:	198.104465
ΔH_f, kcal/mol:	-299.37
Dipole, Da:	6.19
IP(EA), eV:	-8.72(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylnaphthalen-1-yl)prop-2-en-1-ol

Drug info:

PubChemData

Smile

CC1(C(C(S1)(C)C)C(C)(C(=O)OCO)NC(=O)C(CC(=O)O)N)C

DOS

IR

Vibrations