Geometry & MOs

Info

ID:	325800
PubChem CID:	126685031
Reduced:	N7C19H29 (1)
Stoich.:	A7B19C29 (1)
Weight, g/mol:	375.20591
ΔH_f, kcal/mol:	48.86
Dipole, Da:	2.85
IP(EA), eV:	-8.68(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)propyl]-6-(6-methylpyridin-3-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC=N1)N2CCN3C(=NC=C3C4CCN(CC4)C)C2

DOS

IR

Vibrations