Geometry & MOs

Info

ID:	45796
PubChem CID:	10517691
Reduced:	NO2H17C19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-5.43
Dipole, Da:	7.04
IP(EA), eV:	-8.9(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-aminophenyl)methyl]-N,N,N',N'-tetramethylpentanediamide

Drug info:

PubChemData

Smile

CC1(C(=CC2=C(O1)C=CC(=C2)C#N)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations