Geometry & MOs

Info

ID:	448842
PubChem CID:	135293981
Reduced:	FN2O3C23H25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	191.117095
ΔH_f, kcal/mol:	-119.2
Dipole, Da:	7.03
IP(EA), eV:	-9.15(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-(7H-purin-6-yl)propan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1F)C(=O)NC2CC2)C3=CC(=C(C=C3)C(=O)N4CCCC4)OC

DOS

IR

Vibrations