Geometry & MOs

Info

ID:	441121
PubChem CID:	135233176
Reduced:	FN3H8C9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	267.03711
ΔH_f, kcal/mol:	25.87
Dipole, Da:	1.03
IP(EA), eV:	-9.12(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-N,N-bis(prop-2-enyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=C(N(C=N2)CC(F)F)C3=NN4C(=CN=C4C=C3)C

DOS

IR

Vibrations