Geometry & MOs

Info

ID:	353483
PubChem CID:	127285042
Reduced:	BrO2N4C17H25 (1)
Stoich.:	AB2C4D17E25 (1)
Weight, g/mol:	370.218032
ΔH_f, kcal/mol:	-35.78
Dipole, Da:	4.28
IP(EA), eV:	-8.66(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2(CCOCC2)CNC(=O)C3=NNC(=C3Br)C4CC4

DOS

IR

Vibrations