Geometry & MOs

Info

ID:	163841
PubChem CID:	74380534
Reduced:	ClNO3C19H24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	440.264822
ΔH_f, kcal/mol:	-56.12
Dipole, Da:	4.14
IP(EA), eV:	-9.08(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-amino-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-triazol-1-yl]-3,4,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C=CCOCC(C1=CC=C(C=C1)Cl)N(C)CC#CC

DOS

IR

Vibrations