Geometry & MOs

Info

ID:	336031
PubChem CID:	127255038
Reduced:	BrN2O3H33C38 (1)
Stoich.:	AB2C3D33E38 (1)
Weight, g/mol:	255.06226
ΔH_f, kcal/mol:	56.47
Dipole, Da:	5.07
IP(EA), eV:	-8.47(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trimethyl-(2-phenylcyclopropyl)azanium;bromide

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C(=O)[C@@H]2[C@@H](N3C([C@]24C5=CC=CC=C5NC4=O)C=CC6=CC=CC=C63)C(=O)C7=CC=C(C=C7)Br

DOS

IR

Vibrations