Geometry & MOs

Info

ID:	190514
PubChem CID:	78014477
Reduced:	O8C33H42 (1)
Stoich.:	A8B33C42 (1)
Weight, g/mol:	252.172545
ΔH_f, kcal/mol:	-316.72
Dipole, Da:	5.97
IP(EA), eV:	-9.06(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxy-4-methylcyclohex-3-en-1-yl)-4-(oxiren-2-yl)pentan-2-ol

Drug info:

PubChemData

Smile

CCC1(C(CC2CC23C1C(C4(CCC(=C(C4(C)C)C(C3=O)OC(=O)C)C)O)OC(=O)C5=CC=CC=C5)C)OC(=O)C

DOS

IR

Vibrations