Geometry & MOs

Info

ID:	217801
PubChem CID:	85088412
Reduced:	ClN2O4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	402.158082
ΔH_f, kcal/mol:	-122.74
Dipole, Da:	4.43
IP(EA), eV:	-8.61(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3-(2-methylpropoxy)-6-(3-trimethylstannylbut-2-enyl)cyclohex-2-en-1-ol

Drug info:

PubChemData

Smile

CC(CO)NC(=O)CC1=CN(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations