Geometry & MOs

Info

ID:	237053
PubChem CID:	92717074
Reduced:	N3C19H29 (1)
Stoich.:	A3B19C29 (1)
Weight, g/mol:	364.128388
ΔH_f, kcal/mol:	6.98
Dipole, Da:	3.59
IP(EA), eV:	-8.67(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=CC=CC=C2N1CCC(C)C)N3CCCCC3

DOS

IR

Vibrations