Geometry & MOs

Info

ID:	133758
PubChem CID:	51586745
Reduced:	S2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	350.210661
ΔH_f, kcal/mol:	86.47
Dipole, Da:	1.98
IP(EA), eV:	-8.88(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(2S)-1-(7-methyl-1H-indol-3-yl)propan-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CN[C@H](CC2=CSC=C2)C3=NC=CS3

DOS

IR

Vibrations