Geometry & MOs

Info

ID:	252894
PubChem CID:	103114810
Reduced:	N3O4C14H21 (1)
Stoich.:	A3B4C14D21 (1)
Weight, g/mol:	268.142307
ΔH_f, kcal/mol:	-83.04
Dipole, Da:	5.04
IP(EA), eV:	-9.77(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethoxy-3-[(2-methyl-3-nitrophenyl)methylamino]propan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNCC(=O)NC(C)COC

DOS

IR

Vibrations