Geometry & MOs

Info

ID:	363210
PubChem CID:	127310350
Reduced:	O3N5C17H29 (1)
Stoich.:	A3B5C17D29 (1)
Weight, g/mol:	333.191323
ΔH_f, kcal/mol:	-97.37
Dipole, Da:	5.57
IP(EA), eV:	-9.06(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)NC(C)CN3CCOCC3

DOS

IR

Vibrations