Geometry & MOs

Info

ID:	272434
PubChem CID:	103743017
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	264.102941
ΔH_f, kcal/mol:	-58.19
Dipole, Da:	5.77
IP(EA), eV:	-8.67(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[(4-methyloxan-4-yl)methylamino]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NCC2(CCOCC2)C)[N+](=O)[O-]

DOS

IR

Vibrations