Geometry & MOs

Info

ID:	443479
PubChem CID:	135259164
Reduced:	O3N8C22H26 (1)
Stoich.:	A3B8C22D26 (1)
Weight, g/mol:	283.153206
ΔH_f, kcal/mol:	-50.15
Dipole, Da:	5.49
IP(EA), eV:	-8.48(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methyl-2-nitroaniline

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=C5C(=NC=N4)N(C=N5)CC(=O)N(C)C)CCCCC3

DOS

IR

Vibrations