Geometry & MOs

Info

ID:	360191
PubChem CID:	127300834
Reduced:	OSN6C20H26 (1)
Stoich.:	ABC6D20E26 (1)
Weight, g/mol:	355.146681
ΔH_f, kcal/mol:	42.88
Dipole, Da:	3.63
IP(EA), eV:	-8.99(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-indazol-7-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)C3=CN=C4C(=C3)C=NN4C(C)C

DOS

IR

Vibrations