Geometry & MOs

Info

ID:	362757
PubChem CID:	127309303
Reduced:	O2N6C19H30 (1)
Stoich.:	A2B6C19D30 (1)
Weight, g/mol:	319.175673
ΔH_f, kcal/mol:	-50.78
Dipole, Da:	1.12
IP(EA), eV:	-9.59(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(pyrazol-1-ylmethyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCC(CC1)NC(=O)N2CCN3C(=NN=C3C4CC4)C2

DOS

IR

Vibrations