Geometry & MOs

Info

ID:	311632
PubChem CID:	126595876
Reduced:	FON2C19H27 (1)
Stoich.:	ABC2D19E27 (1)
Weight, g/mol:	395.170588
ΔH_f, kcal/mol:	-73.23
Dipole, Da:	3.25
IP(EA), eV:	-8.73(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC(CCC1CC1)C(=O)NC(C2=CC=C(C=C2)F)/C(=C/C)/N

DOS

IR

Vibrations