Geometry & MOs

Info

ID:	328931
PubChem CID:	126729289
Reduced:	O2N3H29C42 (1)
Stoich.:	A2B3C29D42 (1)
Weight, g/mol:	318.25588
ΔH_f, kcal/mol:	133.22
Dipole, Da:	2.03
IP(EA), eV:	-8.58(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tricyclo[5.2.1.02,6]decanylmethyl 4,4-dimethyl-2-prop-1-en-2-ylpentanoate

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=NC(=NC(=N3)C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=CC=C6)OC7=C1C=CC8=C7OC9=CC=CC=C89)C

DOS

IR

Vibrations