Geometry & MOs

Info

ID:	139333
PubChem CID:	52511766
Reduced:	N3O3C26H27 (1)
Stoich.:	A3B3C26D27 (1)
Weight, g/mol:	429.205242
ΔH_f, kcal/mol:	-14.67
Dipole, Da:	3.75
IP(EA), eV:	-9.06(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-6-oxo-1-(2-phenoxyethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](C2=CC=CC=C2C1)N(C3CC3)C(=O)C4=NN(C(=O)C=C4)CCOC5=CC=CC=C5

DOS

IR

Vibrations