Geometry & MOs

Info

ID:	419345
PubChem CID:	135108013
Reduced:	O4N5C19H25 (1)
Stoich.:	A4B5C19D25 (1)
Weight, g/mol:	314.210661
ΔH_f, kcal/mol:	-72.56
Dipole, Da:	5.17
IP(EA), eV:	-8.58(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3-(2-methylphenyl)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC2(CC1)C3=CC(=C(C=C3CCO2)OC)OC)N4C=NN=N4

DOS

IR

Vibrations