Geometry & MOs

Info

ID:	272117
PubChem CID:	103724420
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	200.131349
ΔH_f, kcal/mol:	-52.01
Dipole, Da:	3.61
IP(EA), eV:	-8.24(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1-methylcyclopropyl)methylamino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1(CC1)CNCC2=C(C(=CC=C2)OC)O

DOS

IR

Vibrations