Geometry & MOs

Info

ID:	38948
PubChem CID:	8138219
Reduced:	N3O5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	386.149124
ΔH_f, kcal/mol:	-114.87
Dipole, Da:	4.91
IP(EA), eV:	-8.71(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6-diamino-1,3,5-triazin-2-yl)methyl 3-methyl-2-phenylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)COC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations