Geometry & MOs

Info

ID:	264575
PubChem CID:	103471545
Reduced:	O2N5C12H17 (1)
Stoich.:	A2B5C12D17 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	41.99
Dipole, Da:	7.03
IP(EA), eV:	-8.98(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-methylcyclohexyl)methylamino]-5-nitropyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CN(C)CCCCNC1=C(C=C(C=N1)C#N)[N+](=O)[O-]

DOS

IR

Vibrations