Geometry & MOs

Info

ID:	206702
PubChem CID:	80286992
Reduced:	ON3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	236.132491
ΔH_f, kcal/mol:	-3.95
Dipole, Da:	1.79
IP(EA), eV:	-8.86(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC(=N1)C)CC2=CC(=C(O2)C)CN

DOS

IR

Vibrations