Geometry & MOs

Info

ID:	445241
PubChem CID:	135265372
Reduced:	N2O7C28H34 (1)
Stoich.:	A2B7C28D34 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	-261.52
Dipole, Da:	6.08
IP(EA), eV:	-8.54(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxy-N-methylanilino)-5,6,8,9-tetrahydrobenzo[7]annulen-7-one

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OC1=C(C=CC(=C1)N(C)C2=CC(=O)OC3=CC=CC=C32)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations