Geometry & MOs

Info

ID:	243616
PubChem CID:	99233395
Reduced:	BrN2O3H23C24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	372.204907
ΔH_f, kcal/mol:	-55.88
Dipole, Da:	6.22
IP(EA), eV:	-8.71(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-[(2R)-2-propan-2-ylpyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)OCC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations