Geometry & MOs

Info

ID:	181821
PubChem CID:	76798764
Reduced:	ClO3N5C22H26 (1)
Stoich.:	AB3C5D22E26 (1)
Weight, g/mol:	466.330777
ΔH_f, kcal/mol:	-35.0
Dipole, Da:	3.55
IP(EA), eV:	-9.52(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-7-(oxan-4-yl)-4,4a,5,6,8,8a-hexahydro-3H-2,7-naphthyridin-1-one

Drug info:

PubChemData

Smile

CCCCCN1C2C(CC(=N2)Cl)C(=O)N(C1=O)CCCC3=NC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations