Geometry & MOs

Info

ID:	209997
PubChem CID:	80748972
Reduced:	NO5C9H15 (1)
Stoich.:	AB5C9D15 (1)
Weight, g/mol:	348.06981
ΔH_f, kcal/mol:	-236.86
Dipole, Da:	4.29
IP(EA), eV:	-10.3(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(4-bromo-3-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC1(CCCO1)C(=O)N[C@H](CO)C(=O)O

DOS

IR

Vibrations