Geometry & MOs

Info

ID:	360303
PubChem CID:	127300946
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	350.210661
ΔH_f, kcal/mol:	-82.84
Dipole, Da:	5.85
IP(EA), eV:	-8.83(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dimethyl-1H-indol-5-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3CCCN(C3)C(=O)N4CCCC4

DOS

IR

Vibrations