Geometry & MOs

Info

ID:	185255
PubChem CID:	77276543
Reduced:	BrN2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	161.087435
ΔH_f, kcal/mol:	30.04
Dipole, Da:	4.78
IP(EA), eV:	-8.84(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-cyclopropyl-1-methylsulfanylpropan-1-ol

Drug info:

PubChemData

Smile

CC1C(C(NN1)Br)C2=CC=CC=C2

DOS

IR

Vibrations