Geometry & MOs

Info

ID:	68621
PubChem CID:	46508780
Reduced:	O2N4H24C27 (1)
Stoich.:	A2B4C24D27 (1)
Weight, g/mol:	410.141262
ΔH_f, kcal/mol:	63.24
Dipole, Da:	6.62
IP(EA), eV:	-9.1(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3)OC4=CC=C(C=C4)C#N

DOS

IR

Vibrations