Geometry & MOs

Info

ID:	150091
PubChem CID:	53789777
Reduced:	FO3N4H23C26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	295.103085
ΔH_f, kcal/mol:	-15.6
Dipole, Da:	8.17
IP(EA), eV:	-8.72(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3,4-dimethylbenzoyl)-2-methylphenyl]methyl thiocyanate

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC=C(C=C2)NC(=C3C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations