Geometry & MOs

Info

ID:	245217
PubChem CID:	99437920
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	420.0797
ΔH_f, kcal/mol:	-10.82
Dipole, Da:	7.81
IP(EA), eV:	-8.66(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(2R)-1-oxo-1-[[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]amino]propan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)NC3=CC=NN3C[C@H]4CCOC4

DOS

IR

Vibrations