Geometry & MOs

Info

ID:	344640
PubChem CID:	127268225
Reduced:	ON7C17H25 (1)
Stoich.:	AB7C17D25 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	37.36
Dipole, Da:	3.46
IP(EA), eV:	-8.71(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)C(C)N2CCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations