Geometry & MOs

Info

ID:	417604
PubChem CID:	135102214
Reduced:	ON6C20H26 (1)
Stoich.:	AB6C20D26 (1)
Weight, g/mol:	398.220557
ΔH_f, kcal/mol:	27.0
Dipole, Da:	7.24
IP(EA), eV:	-8.6(-0.43)
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]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)C2=CC=CC=C2)C(=O)N(CCN(C)C)CC3=CN=C(N3)C

DOS

IR

Vibrations