Geometry & MOs

Info

ID:	183955
PubChem CID:	77092960
Reduced:	ON5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	369.196489
ΔH_f, kcal/mol:	34.56
Dipole, Da:	8.53
IP(EA), eV:	-9.31(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(5-fluoro-1H-indol-2-yl)methyl-methylamino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC=C(C=N2)CN3CCCC(C3)C4=CC(=O)N=C(N4)C

DOS

IR

Vibrations