Geometry & MOs

Info

ID:	210697
PubChem CID:	80841578
Reduced:	ON7C12H19 (1)
Stoich.:	AB7C12D19 (1)
Weight, g/mol:	307.131221
ΔH_f, kcal/mol:	34.22
Dipole, Da:	2.15
IP(EA), eV:	-9.46(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloropyrazol-1-yl)-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)N2C=CC=N2)NCCC(C)O

DOS

IR

Vibrations