Geometry & MOs

Info

ID:	148638
PubChem CID:	53788306
Reduced:	NSCl2O7C24H29 (1)
Stoich.:	ABC2D7E24F29 (1)
Weight, g/mol:	216.151415
ΔH_f, kcal/mol:	-246.35
Dipole, Da:	4.26
IP(EA), eV:	-8.63(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-tert-butyl-2,3-dihydro-1H-inden-1-yl)acetaldehyde

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)CN2CCC(C2)(CCCS(=O)(=O)O)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations