Geometry & MOs

Info

ID:	245215
PubChem CID:	99437912
Reduced:	N3O4C20H21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	442.10044
ΔH_f, kcal/mol:	-97.26
Dipole, Da:	3.88
IP(EA), eV:	-9.33(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-2,5-dimethyl-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)NC3=CC=NN3C[C@H]4CCOC4

DOS

IR

Vibrations