Geometry & MOs

Info

ID:	209460
PubChem CID:	80676274
Reduced:	BrNO2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	323.09971
ΔH_f, kcal/mol:	-50.74
Dipole, Da:	4.4
IP(EA), eV:	-9.39(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-N-cyclohexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=COC3=CC=CC=C32)CCBr

DOS

IR

Vibrations