Geometry & MOs

Info

ID:	122600
PubChem CID:	50813840
Reduced:	ClN3O3H24C26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	-66.6
Dipole, Da:	4.16
IP(EA), eV:	-8.84(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methylphenyl)methyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)N3CCCN(C3=O)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations