Geometry & MOs

Info

ID:	224408
PubChem CID:	85342569
Reduced:	NOH11C14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	422.282095
ΔH_f, kcal/mol:	43.78
Dipole, Da:	6.39
IP(EA), eV:	-8.72(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[6,8-dimethyl-2-(phenylmethoxymethyl)-6-tricyclo[5.3.1.01,5]undec-8-enyl]-2-methylpent-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(C(=O)N2C3=CC=CC=C3)(C4=CC=CC=C4)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations