Geometry & MOs

Info

ID:	59247
PubChem CID:	24775827
Reduced:	O2N7C21H23 (1)
Stoich.:	A2B7C21D23 (1)
Weight, g/mol:	462.212787
ΔH_f, kcal/mol:	71.86
Dipole, Da:	6.82
IP(EA), eV:	-8.65(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-methyl-5-[2-[3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CNC2=NC=CC(=N2)NC3=NNC(=C3)CCC4=CC(=CC=C4)OC

DOS

IR

Vibrations