Geometry & MOs

Info

ID:	416183
PubChem CID:	135089192
Reduced:	ClO2N4C15H17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	322.160518
ΔH_f, kcal/mol:	-28.85
Dipole, Da:	2.55
IP(EA), eV:	-9.01(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3,5-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3)Cl

DOS

IR

Vibrations