Geometry & MOs

Info

ID:	84828
PubChem CID:	49870210
Reduced:	O5N6C20H24 (1)
Stoich.:	A5B6C20D24 (1)
Weight, g/mol:	364.164774
ΔH_f, kcal/mol:	-160.28
Dipole, Da:	2.76
IP(EA), eV:	-9.37(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)C(=O)NCC(=O)OC

DOS

IR

Vibrations