Geometry & MOs

Info

ID:	260231
PubChem CID:	103185420
Reduced:	ClO2N3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	294.205576
ΔH_f, kcal/mol:	19.93
Dipole, Da:	2.74
IP(EA), eV:	-8.73(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(3,5-dimethyl-4-nitropyridin-2-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1[N+](=O)[O-])C)CNC2=C(C(=CC=C2)Cl)C

DOS

IR

Vibrations