Geometry & MOs

Info

ID:	393780
PubChem CID:	135021678
Reduced:	NOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	84.044939
ΔH_f, kcal/mol:	-27.65
Dipole, Da:	3.3
IP(EA), eV:	-9.49(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CC2CC(=NC(C1)(C2)O)C3=CC=CC=C3

DOS

IR

Vibrations