Geometry & MOs

Info

ID:	245646
PubChem CID:	99455761
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	374.211804
ΔH_f, kcal/mol:	-57.41
Dipole, Da:	4.88
IP(EA), eV:	-8.43(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)NC[C@@H](C)N3C[C@H](O[C@@H](C3)C)C

DOS

IR

Vibrations