Geometry & MOs

Info

ID:	36453
PubChem CID:	8007027
Reduced:	ON7C15H19 (1)
Stoich.:	AB7C15D19 (1)
Weight, g/mol:	330.180424
ΔH_f, kcal/mol:	27.92
Dipole, Da:	4.08
IP(EA), eV:	-8.91(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)CC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C(=O)N

DOS

IR

Vibrations