Geometry & MOs

Info

ID:	157380
PubChem CID:	56423142
Reduced:	N4O4C21H28 (1)
Stoich.:	A4B4C21D28 (1)
Weight, g/mol:	432.165837
ΔH_f, kcal/mol:	-141.83
Dipole, Da:	2.04
IP(EA), eV:	-9.22(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CCC1CCCCN1C(=O)C(C)OC(=O)CCNC(=O)C2=NNC3=CC=CC=C32

DOS

IR

Vibrations