Geometry & MOs

Info

ID:	192998
PubChem CID:	78335719
Reduced:	N3O3C29H29 (1)
Stoich.:	A3B3C29D29 (1)
Weight, g/mol:	350.170253
ΔH_f, kcal/mol:	34.03
Dipole, Da:	2.43
IP(EA), eV:	-8.35(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[(2-amino-4-hydroxy-6-oxo-1,3-diazinan-5-yl)-phenylmethyl]-6-hydroxy-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCNC2=CC3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)N=C6C(O3)C=CC=C6C

DOS

IR

Vibrations