Geometry & MOs

Info

ID:	304512
PubChem CID:	124756113
Reduced:	ClO3N6C30H31 (1)
Stoich.:	AB3C6D30E31 (1)
Weight, g/mol:	348.195011
ΔH_f, kcal/mol:	-46.83
Dipole, Da:	5.86
IP(EA), eV:	-9.02(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-methoxy-5-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]phenyl]methyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC(=NC(=O)[C@H](CC2=CC=CC=C2)N3C(=O)[C@@H]4CCCC[C@H]4C3=O)NC5=CC(=CC=C5)Cl)C

DOS

IR

Vibrations