Geometry & MOs

Info

ID:	343499
PubChem CID:	127266672
Reduced:	O3N5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	313.098646
ΔH_f, kcal/mol:	-48.24
Dipole, Da:	2.88
IP(EA), eV:	-9.57(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]methylamino]-4-methylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)COC)NCC2=NC3=C(N2)C=C(C=C3)C(=O)OC

DOS

IR

Vibrations