Geometry & MOs

Info

ID:	416625
PubChem CID:	135089847
Reduced:	ClN3O4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	332.20124
ΔH_f, kcal/mol:	-105.91
Dipole, Da:	0.84
IP(EA), eV:	-9.43(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

COCCNC1=NOC(=C1C(=O)N2CCC(CC2)O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations