Geometry & MOs

Info

ID:	343021
PubChem CID:	127266184
Reduced:	NOC9H15 (2)
Stoich.:	ABC9D15 (2)
Weight, g/mol:	317.185175
ΔH_f, kcal/mol:	-94.92
Dipole, Da:	1.77
IP(EA), eV:	-9.04(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[cyclopropylmethyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](CC(=O)OCCN(C)CC1=CC=CC=C1)CN

DOS

IR

Vibrations