Geometry & MOs

Info

ID:	187460
PubChem CID:	77574253
Reduced:	Cl2O3N5C32H41 (1)
Stoich.:	A2B3C5D32E41 (1)
Weight, g/mol:	457.247775
ΔH_f, kcal/mol:	-113.01
Dipole, Da:	4.96
IP(EA), eV:	-8.44(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-[2-[3-(furan-2-yl)phenyl]ethyl]-3-[2-(1H-indol-5-ylmethylamino)ethyl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)C(=O)N2CCC(C(C2)C3=CC(=C(C=C3)Cl)Cl)N(C)C(=O)C4=CC=C(C=C4)N5CCN(CC5)C

DOS

IR

Vibrations