Geometry & MOs

Info

ID:	423126
PubChem CID:	135118974
Reduced:	N7C15H21 (1)
Stoich.:	A7B15C21 (1)
Weight, g/mol:	348.187149
ΔH_f, kcal/mol:	82.52
Dipole, Da:	1.42
IP(EA), eV:	-8.34(-0.2)
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]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=CN=C1N2CCC(CC2)C3=NC(=NC=C3)N

DOS

IR

Vibrations