Geometry & MOs

Info

ID:	250038
PubChem CID:	103093735
Reduced:	SN2C11H18 (1)
Stoich.:	AB2C11D18 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	24.37
Dipole, Da:	2.11
IP(EA), eV:	-9.05(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(E)-2-methyl-3-(propylamino)but-1-enyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CCCNC(C)C(=CC1=CN=CS1)C

DOS

IR

Vibrations