Geometry & MOs

Info

ID:	162091
PubChem CID:	57393596
Reduced:	O2C23H32 (1)
Stoich.:	A2B23C32 (1)
Weight, g/mol:	382.214409
ΔH_f, kcal/mol:	-97.31
Dipole, Da:	2.35
IP(EA), eV:	-8.18(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[5-[(1R,3S)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-2-enoxy]chromen-2-one

Drug info:

PubChemData

Smile

CCCC=C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=C(C=C34)OC)O)C

DOS

IR

Vibrations