Geometry & MOs

Info

ID:	199026
PubChem CID:	79189962
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-15.69
Dipole, Da:	2.31
IP(EA), eV:	-8.71(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(3-propan-2-yloxyphenyl)but-2-en-1-ol

Drug info:

PubChemData

Smile

CC(=C)C(CC1=CC=CC=C1OC)N

DOS

IR

Vibrations