Geometry & MOs

Info

ID:	355366
PubChem CID:	127288362
Reduced:	O3N6C16H20 (1)
Stoich.:	A3B6C16D20 (1)
Weight, g/mol:	336.169859
ΔH_f, kcal/mol:	-71.35
Dipole, Da:	3.46
IP(EA), eV:	-8.89(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-indazol-7-yl-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCN(CC2)C(=O)CN3C=CC(=O)NC3=O

DOS

IR

Vibrations