Geometry & MOs

Info

ID:	189788
PubChem CID:	77904012
Reduced:	ClO4N6C23H33 (1)
Stoich.:	AB4C6D23E33 (1)
Weight, g/mol:	358.189257
ΔH_f, kcal/mol:	-173.58
Dipole, Da:	7.94
IP(EA), eV:	-9.19(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-aminoacetic acid;phenyl 2-(2-ethyl-6-methylanilino)propanoate

Drug info:

PubChemData

Smile

COC1NCC2CC(C(=O)NC2N1)C(=O)NC3=C(C=CC(=C3)C(=O)NCCC4CCCC4N)Cl

DOS

IR

Vibrations