Geometry & MOs

Info

ID:	445730
PubChem CID:	135269136
Reduced:	N3O4C26H29 (1)
Stoich.:	A3B4C26D29 (1)
Weight, g/mol:	369.156767
ΔH_f, kcal/mol:	-118.81
Dipole, Da:	5.19
IP(EA), eV:	-9.25(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-[2-(2-aminoethoxy)ethyl]-5-[(4-chlorophenyl)methylamino]-1-methyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OC2=NC3=C(CC2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)CCCO

DOS

IR

Vibrations