Geometry & MOs

Info

ID:	271206
PubChem CID:	103647780
Reduced:	NS2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	326.06299
ΔH_f, kcal/mol:	30.76
Dipole, Da:	1.44
IP(EA), eV:	-8.65(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-2-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CNCCSCC=C

DOS

IR

Vibrations