Geometry & MOs

Info

ID:	125304
PubChem CID:	50918947
Reduced:	BrNO2H8C9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	164.131349
ΔH_f, kcal/mol:	-37.55
Dipole, Da:	5.14
IP(EA), eV:	-7.96(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aziridin-1-yl)-N-(cyclopenta-2,4-dien-1-ylmethyl)ethanamine

Drug info:

PubChemData

Smile

C1=CC=[N+]2C=CC(=C(C2=C1)O)O.[Br-]

DOS

IR

Vibrations