Geometry & MOs

Info

ID:	252873
PubChem CID:	103114720
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-48.94
Dipole, Da:	7.27
IP(EA), eV:	-9.33(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-[[(2-methyl-3-nitrophenyl)methylamino]methyl]phenol

Drug info:

PubChemData

Smile

CC1CCC(O1)CNCC2=C(C(=CC=C2)[N+](=O)[O-])C

DOS

IR

Vibrations