Geometry & MOs

Info

ID:	416982
PubChem CID:	135090954
Reduced:	NO2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	304.226312
ΔH_f, kcal/mol:	-54.41
Dipole, Da:	2.34
IP(EA), eV:	-9.32(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC1CCOCC1)C(=O)C2=CC=CC=C2C3=CC=CC=C3

DOS

IR

Vibrations