Geometry & MOs

Info

ID:	363205
PubChem CID:	127310345
Reduced:	ClSO2N4C16H21 (1)
Stoich.:	ABC2D4E16F21 (1)
Weight, g/mol:	360.227374
ΔH_f, kcal/mol:	-30.95
Dipole, Da:	4.92
IP(EA), eV:	-9.03(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylpyrazol-1-yl)methyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)NC(C)C3=CC=C(S3)Cl

DOS

IR

Vibrations