Geometry & MOs

Info

ID:	417769
PubChem CID:	135102680
Reduced:	N2O5C19H26 (1)
Stoich.:	A2B5C19D26 (1)
Weight, g/mol:	277.153875
ΔH_f, kcal/mol:	-120.51
Dipole, Da:	5.37
IP(EA), eV:	-8.65(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1C[C@@H]2COC[C@H](C1)N(C2=O)C)OC3=CC=CC=C3OC

DOS

IR

Vibrations