Geometry & MOs

Info

ID:	209740
PubChem CID:	80710943
Reduced:	ClNOC18H20 (1)
Stoich.:	ABCD18E20 (1)
Weight, g/mol:	262.142976
ΔH_f, kcal/mol:	-20.06
Dipole, Da:	2.79
IP(EA), eV:	-8.69(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylhexan-2-ylamino)-3-nitropyridine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1(CC(C2=CC=CC=C2O1)NCC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations