Geometry & MOs

Info

ID:	418929
PubChem CID:	135107144
Reduced:	FON5C22H24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	-33.83
Dipole, Da:	1.03
IP(EA), eV:	-9.21(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-3-(2-methylimidazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)CCC4=NC5=C(N4)C=C(C=C5)F

DOS

IR

Vibrations