Geometry & MOs

Info

ID:	424375
PubChem CID:	135122444
Reduced:	N4O5C27H36 (1)
Stoich.:	A4B5C27D36 (1)
Weight, g/mol:	180.089878
ΔH_f, kcal/mol:	-193.61
Dipole, Da:	3.79
IP(EA), eV:	-9.54(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 3-methylpyridazine-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)CCCOC(=O)C4=CC=C(C=C4)C(=O)NC(C)C

DOS

IR

Vibrations