Geometry & MOs

Info

ID:	149158
PubChem CID:	53788830
Reduced:	ON2C8H16 (1)
Stoich.:	AB2C8D16 (1)
Weight, g/mol:	332.27153
ΔH_f, kcal/mol:	-47.04
Dipole, Da:	2.67
IP(EA), eV:	-9.15(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-4-(3-methylbut-1-en-2-yl)-3,5,6-tri(propan-2-yl)phenol

Drug info:

PubChemData

Smile

CC1CC(CNCC1=O)CN

DOS

IR

Vibrations