Geometry & MOs

Info

ID:	186871
PubChem CID:	77499041
Reduced:	FO3N6C26H33 (1)
Stoich.:	AB3C6D26E33 (1)
Weight, g/mol:	311.236148
ΔH_f, kcal/mol:	-86.59
Dipole, Da:	5.84
IP(EA), eV:	-8.83(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-N-(cyclopropylmethyl)-N-methyl-2,3,4,4a,5,7-hexahydro-1H-1,6-naphthyridin-8-amine

Drug info:

PubChemData

Smile

CC1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)F)N(C)CCO)N5CCOCC5C

DOS

IR

Vibrations