Geometry & MOs

Info

ID:	59249
PubChem CID:	24775829
Reduced:	O3N7C21H23 (1)
Stoich.:	A3B7C21D23 (1)
Weight, g/mol:	468.142514
ΔH_f, kcal/mol:	41.16
Dipole, Da:	3.58
IP(EA), eV:	-8.86(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[[4-[[5-[2-(3-chloro-5-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]methyl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OC)COC2=NNC(=C2)NC3=NC(=NC=C3)NCC4=CC(=NO4)C

DOS

IR

Vibrations