Geometry & MOs

Info

ID:	81238
PubChem CID:	49854495
Reduced:	ON9C23H25 (1)
Stoich.:	AB9C23D25 (1)
Weight, g/mol:	441.202556
ΔH_f, kcal/mol:	82.12
Dipole, Da:	1.92
IP(EA), eV:	-8.38(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[4-cyclopropyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]-3-phenylurea

Drug info:

PubChemData

Smile

CCC1=NC(=NC(=N1)NC2=NNC(=C2)C)NC3=CC=C(C=C3)NC(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations