Geometry & MOs

Info

ID:	210692
PubChem CID:	80841137
Reduced:	ON4C9H16 (1)
Stoich.:	AB4C9D16 (1)
Weight, g/mol:	289.165108
ΔH_f, kcal/mol:	-20.57
Dipole, Da:	5.06
IP(EA), eV:	-8.51(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(oxolan-3-yl)-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC(CCNC1=NC(=CN=C1)NC)O

DOS

IR

Vibrations