Geometry & MOs

Info

ID:	22495
PubChem CID:	597374
Reduced:	OC13H15 (2)
Stoich.:	AB13C15 (2)
Weight, g/mol:	374.22458
ΔH_f, kcal/mol:	-40.41
Dipole, Da:	1.75
IP(EA), eV:	-9.2(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-benzhydryl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2C(C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C=C)C)C

DOS

IR

Vibrations