Geometry & MOs

Info

ID:	418318
PubChem CID:	135104184
Reduced:	SO2N5C25H29 (1)
Stoich.:	AB2C5D25E29 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	9.0
Dipole, Da:	4.96
IP(EA), eV:	-9.06(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2=CC(=CC=C2)C(=O)N3[C@@H]4CC[C@H]3[C@@](C4)(CC5=CSC=N5)C(=O)NC)C

DOS

IR

Vibrations