Geometry & MOs

Info

ID:	263332
PubChem CID:	103357947
Reduced:	FNO4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	250.113984
ΔH_f, kcal/mol:	-190.37
Dipole, Da:	6.75
IP(EA), eV:	-9.71(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-methylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1(CCN(C1)C(=O)C2=C(C=C(C=C2)/C=C/C(=O)O)F)O

DOS

IR

Vibrations