Geometry & MOs

Info

ID:	244822
PubChem CID:	99429038
Reduced:	O2N6C21H32 (1)
Stoich.:	A2B6C21D32 (1)
Weight, g/mol:	418.05037
ΔH_f, kcal/mol:	-47.11
Dipole, Da:	7.92
IP(EA), eV:	-8.84(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)C(=O)C2CCN(CC2)C3=NC(=O)C4=CNN(C4=N3)C(C)(C)C

DOS

IR

Vibrations