Geometry & MOs

Info

ID:	248768
PubChem CID:	103084212
Reduced:	BrN3C17H20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	303.03711
ΔH_f, kcal/mol:	34.63
Dipole, Da:	3.22
IP(EA), eV:	-9.31(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

CCCC1=NC(=NC2=C1CNCC2)C3=C(C=C(C=C3)Br)C

DOS

IR

Vibrations