Geometry & MOs

Info

ID:	244286
PubChem CID:	99319686
Reduced:	BrON5H20C22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	372.195011
ΔH_f, kcal/mol:	94.19
Dipole, Da:	6.26
IP(EA), eV:	-9.22(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylindol-1-yl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)[C@H](C)NC(=O)C3=CC(=CC=C3)N4C=C(C=N4)Br

DOS

IR

Vibrations