Geometry & MOs

Info

ID:	341409
PubChem CID:	127264102
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	202.135765
ΔH_f, kcal/mol:	-61.08
Dipole, Da:	3.2
IP(EA), eV:	-9.04(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)C3=C(CCC2)C(=NO3)C(=O)OC

DOS

IR

Vibrations