Geometry & MOs

Info

ID:	252897
PubChem CID:	103114840
Reduced:	ClO2N4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	36.58
Dipole, Da:	6.83
IP(EA), eV:	-9.25(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-[(2-methyl-3-nitrophenyl)methylamino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNCC2=NC=C(N2C)Cl

DOS

IR

Vibrations