Geometry & MOs

Info

ID:	417499
PubChem CID:	135095707
Reduced:	FOSN2C19H21 (1)
Stoich.:	ABCD2E19F21 (1)
Weight, g/mol:	338.130967
ΔH_f, kcal/mol:	-19.05
Dipole, Da:	2.98
IP(EA), eV:	-8.88(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-(dimethylamino)ethyl]-2-fluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(CCOC)CC2=NC3=C(C=C2)C=C(C=C3)F

DOS

IR

Vibrations