Geometry & MOs

Info

ID:	243828
PubChem CID:	99239891
Reduced:	BrO3N4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	484.06769
ΔH_f, kcal/mol:	-48.13
Dipole, Da:	8.75
IP(EA), eV:	-8.99(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1OCC(=O)N(C)C)NC(=O)C2=NNC(=C2Br)C3CC3

DOS

IR

Vibrations