Geometry & MOs

Info

ID:	146934
PubChem CID:	53773999
Reduced:	SN2O2H14C17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	208.157563
ΔH_f, kcal/mol:	-3.07
Dipole, Da:	4.12
IP(EA), eV:	-8.55(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methylamino)-7-pyrrol-1-ylheptan-2-one

Drug info:

PubChemData

Smile

CNC(=S)NC1=CC=C(C=C1)C2=CC3=CC=CC=C3OC2=O

DOS

IR

Vibrations