Geometry & MOs

Info

ID:	418130
PubChem CID:	135103639
Reduced:	ON5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	306.205576
ΔH_f, kcal/mol:	11.88
Dipole, Da:	3.34
IP(EA), eV:	-9.23(-0.2)
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]-2-(2-methylimidazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C2CC(OC2=NC(=N1)C)CN3CCC(CC3)CCN4C=CC=N4

DOS

IR

Vibrations