Geometry & MOs

Info

ID:	195457
PubChem CID:	78687670
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	394.138953
ΔH_f, kcal/mol:	-31.61
Dipole, Da:	7.46
IP(EA), eV:	-8.43(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCNC(=O)C=CC2=C(N(C(=C2)C)C3CC3)C

DOS

IR

Vibrations