Geometry & MOs

Info

ID:	81141
PubChem CID:	49854395
Reduced:	O2N10C23H32 (1)
Stoich.:	A2B10C23D32 (1)
Weight, g/mol:	395.218206
ΔH_f, kcal/mol:	-15.42
Dipole, Da:	3.19
IP(EA), eV:	-8.34(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]-3-propan-2-ylurea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations