Geometry & MOs

Info

ID:	393632
PubChem CID:	135021319
Reduced:	NSO2H17C21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	349.204179
ΔH_f, kcal/mol:	72.62
Dipole, Da:	6.77
IP(EA), eV:	-9.23(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hexyl-1,1-dimethyl-3-(4-nitrophenyl)indene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C(=C1C3=CC=CS3)C4=CC=C(C=C4)[N+](=O)[O-])C

DOS

IR

Vibrations