Geometry & MOs

Info

ID:	404703
PubChem CID:	135069683
Reduced:	ClN2O2H17C20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	398.318481
ΔH_f, kcal/mol:	-8.93
Dipole, Da:	2.25
IP(EA), eV:	-9.22(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[(4R)-3,3,7-trimethyl-8,10-bis(3-methylbut-2-enyl)-2-oxatricyclo[5.3.1.04,11]undec-1(10)-en-11-yl]propan-1-one

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=C(N=C3C=CC(=CC3=C2)Cl)C4=CC=CC=C4

DOS

IR

Vibrations