Geometry & MOs

Info

ID:	281023
PubChem CID:	103852441
Reduced:	ClNO2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	263.01212
ΔH_f, kcal/mol:	-74.69
Dipole, Da:	5.75
IP(EA), eV:	-9.62(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2-bromo-3,4-difluorophenyl)butan-1-amine

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC=C1Cl)C(=O)O)N

DOS

IR

Vibrations