Geometry & MOs

Info

ID:	360313
PubChem CID:	127300956
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	350.210661
ΔH_f, kcal/mol:	-90.69
Dipole, Da:	4.98
IP(EA), eV:	-8.8(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dimethyl-1H-indol-7-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3=CC(=CC=C3)NC(=O)C4CCCO4

DOS

IR

Vibrations