Geometry & MOs

Info

ID:	173780
PubChem CID:	75682249
Reduced:	O2N4C21H33 (1)
Stoich.:	A2B4C21D33 (1)
Weight, g/mol:	372.252526
ΔH_f, kcal/mol:	-55.23
Dipole, Da:	5.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752161
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[3-[(dimethylamino)methyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-2-phenyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(N1)C2=CC=CC=C2)CC(=O)N3CCCC(C3)C[NH+](C)C

DOS

IR

Vibrations