Geometry & MOs

Info

ID:	377736
PubChem CID:	134223800
Reduced:	ON5H43C66 (1)
Stoich.:	AB5C43D66 (1)
Weight, g/mol:	158.141913
ΔH_f, kcal/mol:	279.83
Dipole, Da:	2.0
IP(EA), eV:	-8.01(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-[ethyl(propan-2-yl)amino]propanal

Drug info:

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=CC=CC=C6)C=CC(=C5)C7=CC8=C(C=C7)OC9=C8C=C1C2=CC=CC=C2N(C1=C9)C1=CC=CC(=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations