Geometry & MOs

Info

ID:	377486
PubChem CID:	134223541
Reduced:	NOH16C29 (2)
Stoich.:	ABC16D29 (2)
Weight, g/mol:	158.141913
ΔH_f, kcal/mol:	211.6
Dipole, Da:	1.74
IP(EA), eV:	-8.19(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(2,2-dimethylpropylamino)propanal

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5=C(C=C42)OC6=C5C=C(C=C6)C7=CC8=C(C=C7)N(C9=C8C=C1C2=CC=CC=C2OC1=C9)C1=C2C=CC=C3C2=C(C=C1)C1=CC=CC=C13

DOS

IR

Vibrations