Geometry & MOs

Info

ID:	170617
PubChem CID:	75258895
Reduced:	N4O4C17H22 (1)
Stoich.:	A4B4C17D22 (1)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-178.06
Dipole, Da:	3.73
IP(EA), eV:	-8.46(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)methyl]phenyl]-6-propyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CC(=O)NC(=O)N2)NC(=O)C(C)(C)C

DOS

IR

Vibrations