Geometry & MOs

Info

ID:	188684
PubChem CID:	77753765
Reduced:	N3O4C12H17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	389.035227
ΔH_f, kcal/mol:	-104.1
Dipole, Da:	9.05
IP(EA), eV:	-9.76(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-3-[2-[dichloro(phenyl)methyl]-4-hydroxyphenyl]propanoate;hydrochloride

Drug info:

PubChemData

Smile

CC(CCCN1C2=NC(=O)N=CC2CCO1)C(=O)O

DOS

IR

Vibrations