Geometry & MOs

Info

ID:	203279
PubChem CID:	79807324
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	325.0136
ΔH_f, kcal/mol:	-88.93
Dipole, Da:	5.34
IP(EA), eV:	-9.5(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(3-bromophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)O)NC(=O)C1=CC2=C(C=C1)C=NN2

DOS

IR

Vibrations