Geometry & MOs

Info

ID:	252865
PubChem CID:	103114684
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	272.116092
ΔH_f, kcal/mol:	-10.08
Dipole, Da:	5.19
IP(EA), eV:	-9.53(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2CCC2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations