Geometry & MOs

Info

ID:	363252
PubChem CID:	127310393
Reduced:	ClO2N4C20H25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	349.157246
ΔH_f, kcal/mol:	-20.95
Dipole, Da:	6.45
IP(EA), eV:	-8.94(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)NCC3(CC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations