Geometry & MOs

Info

ID:	36452
PubChem CID:	8007025
Reduced:	ON7C15H19 (1)
Stoich.:	AB7C15D19 (1)
Weight, g/mol:	313.165108
ΔH_f, kcal/mol:	24.89
Dipole, Da:	4.95
IP(EA), eV:	-8.96(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations