Geometry & MOs

Info

ID:	210311
PubChem CID:	80787446
Reduced:	O3N4C13H20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	292.201159
ΔH_f, kcal/mol:	-48.66
Dipole, Da:	6.57
IP(EA), eV:	-8.87(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile

Drug info:

PubChemData

Smile

CCCNC(=O)CNC1=CC(=CC(=C1)NCC)[N+](=O)[O-]

DOS

IR

Vibrations