Geometry & MOs

Info

ID:	425880
PubChem CID:	135129001
Reduced:	NOC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	450.183795
ΔH_f, kcal/mol:	-43.35
Dipole, Da:	4.8
IP(EA), eV:	-8.54(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[3-(dimethylamino)phenyl]-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine

Drug info:

PubChemData

Smile

CC1C(NC2=CC=CC=C2C1=O)CC(C)C

DOS

IR

Vibrations