Geometry & MOs

Info

ID:	289925
PubChem CID:	104387927
Reduced:	ON5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	256.083937
ΔH_f, kcal/mol:	-28.38
Dipole, Da:	3.55
IP(EA), eV:	-8.79(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CCCC1=C(N=CN=C1NCC(=O)N2CCCC2)N

DOS

IR

Vibrations