Geometry & MOs

Info

ID:	339179
PubChem CID:	127260558
Reduced:	N2O4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	232.074533
ΔH_f, kcal/mol:	-173.49
Dipole, Da:	5.29
IP(EA), eV:	-9.92(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2,3-diaminopropanoate;dihydrochloride

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(CC1CCCC=C1)C(=O)O)NC=O

DOS

IR

Vibrations