Geometry & MOs

Info

ID:	369218
PubChem CID:	127331535
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	-56.76
Dipole, Da:	5.72
IP(EA), eV:	-9.13(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)NCC2CCCOC2C(C)(C)C)C3=CC=CC=C3

DOS

IR

Vibrations