Geometry & MOs

Info

ID:	210926
PubChem CID:	80871388
Reduced:	ClN2O3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	305.104338
ΔH_f, kcal/mol:	-19.98
Dipole, Da:	7.3
IP(EA), eV:	-8.93(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chlorophenyl)methoxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCNC1=C(C(=CC=C1)OCC2=CC=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations