Geometry & MOs

Info

ID:	138651
PubChem CID:	52401150
Reduced:	BrON5H16C19 (1)
Stoich.:	ABC5D16E19 (1)
Weight, g/mol:	421.175004
ΔH_f, kcal/mol:	82.52
Dipole, Da:	1.05
IP(EA), eV:	-9.19(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,7R)-5-methyl-2-phenyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=NC(=NN2[C@@H]([C@H]1C(=O)N)C3=CC(=CC=C3)Br)C4=CC=CC=C4

DOS

IR

Vibrations