Geometry & MOs

Info

ID:	343864
PubChem CID:	127267040
Reduced:	O2N5C17H17 (1)
Stoich.:	A2B5C17D17 (1)
Weight, g/mol:	309.122575
ΔH_f, kcal/mol:	71.01
Dipole, Da:	7.6
IP(EA), eV:	-9.1(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(4-methyl-3-nitropyridin-2-yl)azetidin-3-yl]amino]benzonitrile

Drug info:

PubChemData

Smile

C1CN(CCC1NC2=CC=CC=C2C#N)C3=NC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations