Geometry & MOs

Info

ID:	383971
PubChem CID:	134976091
Reduced:	ClNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	206.13068
ΔH_f, kcal/mol:	-58.08
Dipole, Da:	2.22
IP(EA), eV:	-9.59(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,9aR)-4a-methyl-5-oxo-2,3,4,8,9,9a-hexahydro-1H-benzo[7]annulene-7-carbaldehyde

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)C(=O)N(C(=O)C)Cl

DOS

IR

Vibrations