Geometry & MOs

Info

ID:	276976
PubChem CID:	103826087
Reduced:	FON5C9H10 (1)
Stoich.:	ABC5D9E10 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	14.06
Dipole, Da:	1.66
IP(EA), eV:	-9.44(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNC2=NC=C(C=N2)F

DOS

IR

Vibrations