Geometry & MOs

Info

ID:	291505
PubChem CID:	112919736
Reduced:	ClN5C19H20 (1)
Stoich.:	AB5C19D20 (1)
Weight, g/mol:	328.164774
ΔH_f, kcal/mol:	69.98
Dipole, Da:	0.79
IP(EA), eV:	-8.91(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(4-methoxyphenyl)methylamino]-1,2,4-triazin-5-yl]piperazine-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NCCC2=CC=C(C=C2)Cl)NCC3=CC=NC=C3

DOS

IR

Vibrations