Geometry & MOs

Info

ID:	261220
PubChem CID:	103223075
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	211.132077
ΔH_f, kcal/mol:	-42.05
Dipole, Da:	4.88
IP(EA), eV:	-8.98(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-aminopropoxy)-2-propylpyridazin-3-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CN2C(=O)C=C(C=N2)OCC(C)N)C

DOS

IR

Vibrations