Geometry & MOs

Info

ID:	198243
PubChem CID:	79073269
Reduced:	ClN3C15H18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	304.99305
ΔH_f, kcal/mol:	33.89
Dipole, Da:	5.51
IP(EA), eV:	-9.12(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1NC(C)CCC2=CC=CC=C2)Cl

DOS

IR

Vibrations