Geometry & MOs

Info

ID:	224232
PubChem CID:	85340385
Reduced:	O3N5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	220.182715
ΔH_f, kcal/mol:	-72.28
Dipole, Da:	5.34
IP(EA), eV:	-8.84(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4a,8a-dimethyl-7-propan-2-yl-5,6,7,8-tetrahydro-4H-naphthalen-1-one

Drug info:

PubChemData

Smile

C1CC2C(=NC1)C(=NNC2=O)C3=CC(=CC=C3)NC(=O)CCCCN4CCOCC4

DOS

IR

Vibrations