Geometry & MOs

Info

ID:	190950
PubChem CID:	78083309
Reduced:	N5C23H27 (1)
Stoich.:	A5B23C27 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	96.35
Dipole, Da:	4.14
IP(EA), eV:	-8.61(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[4-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1CC2CN(CC1CN2CC3=CC=C(C=C3)N4C=CN=C4)CC5=CC=NC=C5

DOS

IR

Vibrations