Geometry & MOs

Info

ID:	279003
PubChem CID:	103840441
Reduced:	N2O2F3C11H19 (1)
Stoich.:	A2B2C3D11E19 (1)
Weight, g/mol:	302.00885
ΔH_f, kcal/mol:	-263.4
Dipole, Da:	5.23
IP(EA), eV:	-9.38(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-bromothiophen-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CC(CN1C(=O)CCOCC(F)(F)F)CN

DOS

IR

Vibrations