Geometry & MOs

Info

ID:	311464
PubChem CID:	126592926
Reduced:	N2O3C9H16 (1)
Stoich.:	A2B3C9D16 (1)
Weight, g/mol:	192.126263
ΔH_f, kcal/mol:	-116.94
Dipole, Da:	5.45
IP(EA), eV:	-9.56(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[4-(1-aminoethyl)phenyl]propanal

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)COCCN)C=O

DOS

IR

Vibrations