Geometry & MOs

Info

ID:	206787
PubChem CID:	80301818
Reduced:	BrFN3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	310.10446
ΔH_f, kcal/mol:	-2.54
Dipole, Da:	2.27
IP(EA), eV:	-8.41(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(4-bromophenyl)methyl]-2-N-methyl-2-(1-methylcyclopropyl)propane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)NC2=C(C=C(C=N2)Br)N)F

DOS

IR

Vibrations