Geometry & MOs

Info

ID:	175708
PubChem CID:	75939815
Reduced:	O3N5C27H38 (1)
Stoich.:	A3B5C27D38 (1)
Weight, g/mol:	479.28964
ΔH_f, kcal/mol:	-72.8
Dipole, Da:	6.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.121655
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(4-methyl-6-oxo-2-pyridin-3-yl-1,3-diazinan-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(N1)C2=CN=CC=C2)CCC(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCCC4

DOS

IR

Vibrations