Geometry & MOs

Info

ID:	165893
PubChem CID:	74610382
Reduced:	O2N3C23H36 (1)
Stoich.:	A2B3C23D36 (1)
Weight, g/mol:	321.278013
ΔH_f, kcal/mol:	-82.04
Dipole, Da:	7.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754627
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(5-methyl-2-propan-2-ylhex-2-enyl)piperidin-4-yl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC(C)C[NH+]1CCNC(=O)C1CC(=O)NCC2(CCCCC2)C3=CC=CC=C3

DOS

IR

Vibrations