Geometry & MOs

Info

ID:	292217
PubChem CID:	114496724
Reduced:	O2C13H26 (1)
Stoich.:	A2B13C26 (1)
Weight, g/mol:	342.10552
ΔH_f, kcal/mol:	-151.71
Dipole, Da:	3.31
IP(EA), eV:	-10.02(2.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-[(1,3-dimethylpiperidin-4-yl)amino]-2-propylpyridazin-3-one

Drug info:

PubChemData

Smile

CC1CCC(C(C1)CC(C)(C(C)C)O)O

DOS

IR

Vibrations