Geometry & MOs

Info

ID:	349246
PubChem CID:	127274972
Reduced:	OS2N6C16H24 (1)
Stoich.:	AB2C6D16E24 (1)
Weight, g/mol:	341.131031
ΔH_f, kcal/mol:	34.3
Dipole, Da:	2.72
IP(EA), eV:	-8.72(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-indazol-7-yl-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1SCC(=O)N2CCCN(CC2)CC3=CSC=N3

DOS

IR

Vibrations