Geometry & MOs

Info

ID:	436261
PubChem CID:	135195961
Reduced:	N2O3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	180.126263
ΔH_f, kcal/mol:	-84.05
Dipole, Da:	4.45
IP(EA), eV:	-7.85(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-propan-2-ylpyridazin-3-yl)propan-2-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3OC4CCCC4)N)C5(C2=O)CCC5

DOS

IR

Vibrations