Geometry & MOs

Info

ID:	160998
PubChem CID:	57390476
Reduced:	FN3H16C20 (1)
Stoich.:	AB3C16D20 (1)
Weight, g/mol:	327.173548
ΔH_f, kcal/mol:	61.44
Dipole, Da:	4.66
IP(EA), eV:	-9.16(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(R)-[1-methyl-4-(4-methylphenyl)pyrrol-3-yl]-phenylmethyl]imidazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](C2=CNC=C2C3=CC=C(C=C3)F)N4C=CN=C4

DOS

IR

Vibrations