Geometry & MOs

Info

ID:	223506
PubChem CID:	85335139
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-100.03
Dipole, Da:	4.77
IP(EA), eV:	-9.16(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-oxo-3,4,4a,6-tetrahydro-2H-pyrido[2,3-d]pyridazin-8-yl)phenyl]-5-pyrrolidin-1-ylpentanamide

Drug info:

PubChemData

Smile

CCCCC1(C(=O)NC(=O)N1)C(CC2=CC=C(C=C2)C3=CC=CC=C3)N(C=O)O

DOS

IR

Vibrations