Geometry & MOs

Info

ID:	248720
PubChem CID:	103083916
Reduced:	BrON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	317.05276
ΔH_f, kcal/mol:	21.56
Dipole, Da:	4.97
IP(EA), eV:	-9.24(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-bromo-2-methylphenyl)pyrimidin-4-yl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)NC(C)(C)C

DOS

IR

Vibrations