Geometry & MOs

Info

ID:	221852
PubChem CID:	85291391
Reduced:	N2O4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	266.151809
ΔH_f, kcal/mol:	-153.81
Dipole, Da:	6.01
IP(EA), eV:	-9.36(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-hydroxy-1-methoxy-5-methyl-2,4a,6,7,8,9-hexahydrobenzo[7]annulene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(CN)NC(=O)C1=CC=C(C=C1)OC

DOS

IR

Vibrations