Geometry & MOs

Info

ID:	391407
PubChem CID:	135004824
Reduced:	ON2C19H30 (1)
Stoich.:	AB2C19D30 (1)
Weight, g/mol:	341.137556
ΔH_f, kcal/mol:	-32.9
Dipole, Da:	2.07
IP(EA), eV:	-8.76(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1-methylimidazole-2-carbonyl)-[(E)-3-oxo-3-phenylprop-1-enyl]amino]methyl propanoate

Drug info:

PubChemData

Smile

CCN(CC)C1[C@@H]([C@H]2[C@@H]1[C@@H](N(C2)CC3=CC=CC=C3)C)CO

DOS

IR

Vibrations