Geometry & MOs

Info

ID:	173779
PubChem CID:	75680984
Reduced:	O2N3C23H28 (1)
Stoich.:	A2B3C23D28 (1)
Weight, g/mol:	373.260351
ΔH_f, kcal/mol:	-16.97
Dipole, Da:	4.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.796687
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[1-[2-(4-methyl-6-oxo-2-phenyl-1,3-diazinan-5-yl)acetyl]piperidin-3-yl]methyl]azanium

Drug info:

PubChemData

Smile

CC(C)C1=[N+](C=CN1)C(C)C(=O)NC(C2=CC=CC=C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations