Geometry & MOs

Info

ID:	421218
PubChem CID:	135115608
Reduced:	O2N6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	415.283492
ΔH_f, kcal/mol:	38.69
Dipole, Da:	5.41
IP(EA), eV:	-9.48(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-[1-(4-methoxyanilino)cyclohexyl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CN(C)C(=O)CCCC2=NC(=NO2)C3=CC=NC=C3

DOS

IR

Vibrations