Geometry & MOs

Info

ID:	363279
PubChem CID:	127310434
Reduced:	ClFO2N4C16H18 (1)
Stoich.:	ABC2D4E16F18 (1)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	-73.54
Dipole, Da:	7.51
IP(EA), eV:	-9.01(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)NC3=C(C(=CC=C3)Cl)F

DOS

IR

Vibrations