Geometry & MOs

Info

ID:	364555
PubChem CID:	127315807
Reduced:	ON5C21H21 (1)
Stoich.:	AB5C21D21 (1)
Weight, g/mol:	316.164774
ΔH_f, kcal/mol:	70.15
Dipole, Da:	5.75
IP(EA), eV:	-8.97(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCCC4C(=O)NC5CC5)C#N

DOS

IR

Vibrations