Geometry & MOs

Info

ID:	81140
PubChem CID:	49854394
Reduced:	O2N10C21H28 (1)
Stoich.:	A2B10C21D28 (1)
Weight, g/mol:	480.27097
ΔH_f, kcal/mol:	1.73
Dipole, Da:	3.36
IP(EA), eV:	-8.36(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-ethyl-6-[4-(propan-2-ylcarbamoylamino)anilino]-1,3,5-triazin-2-yl]amino]-5-methyl-N-propan-2-ylpyrazole-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=NC(=N1)NC2=NN(C(=C2)C)C(=O)NCC)NC3=CC=C(C=C3)NC(=O)NCC

DOS

IR

Vibrations