Geometry & MOs

Info

ID:	272460
PubChem CID:	103743494
Reduced:	BrNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-72.87
Dipole, Da:	3.51
IP(EA), eV:	-8.88(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-[[(4-methyloxan-4-yl)methylamino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1(CCOCC1)CNCC2=CC(=C(C=C2)OC)Br

DOS

IR

Vibrations