Geometry & MOs

Info

ID:	288474
PubChem CID:	104317101
Reduced:	ON2C13H30 (1)
Stoich.:	AB2C13D30 (1)
Weight, g/mol:	243.02588
ΔH_f, kcal/mol:	-92.64
Dipole, Da:	3.11
IP(EA), eV:	-8.64(2.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromoanilino)butan-2-ol

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NCCC(C)O

DOS

IR

Vibrations