Geometry & MOs

Info

ID:	368196
PubChem CID:	127327747
Reduced:	O2S2N4C17H24 (1)
Stoich.:	A2B2C4D17E24 (1)
Weight, g/mol:	367.204196
ΔH_f, kcal/mol:	-32.31
Dipole, Da:	4.5
IP(EA), eV:	-8.49(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N,6-dimethylpyridazin-3-amine

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N(C)C2CCN(CC2)S(=O)(=O)C3=C(SC(=C3)C)C

DOS

IR

Vibrations