Geometry & MOs

Info

ID:	159780
PubChem CID:	57288742
Reduced:	SN3O6C16H27 (1)
Stoich.:	AB3C6D16E27 (1)
Weight, g/mol:	130.110613
ΔH_f, kcal/mol:	-236.49
Dipole, Da:	9.04
IP(EA), eV:	-7.95(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethylamino)butanal

Drug info:

PubChemData

Smile

CCNC(=O)CN(CC)C(=O)S1([C@@H]2CC(=O)N2[C@H](C1(C)C)C(=O)O)CO

DOS

IR

Vibrations