Geometry & MOs

Info

ID:	281334
PubChem CID:	103913722
Reduced:	ON3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	214.146999
ΔH_f, kcal/mol:	30.7
Dipole, Da:	4.8
IP(EA), eV:	-9.19(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3-methylbut-2-enylamino)ethyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CNC(C)C2=CC=CC(=C2)C#N)C

DOS

IR

Vibrations