Geometry & MOs

Info

ID:	418806
PubChem CID:	135106833
Reduced:	FNOC18H26 (1)
Stoich.:	ABCD18E26 (1)
Weight, g/mol:	325.142641
ΔH_f, kcal/mol:	-104.92
Dipole, Da:	2.55
IP(EA), eV:	-8.45(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[3-(pyrrolidine-1-carbonyl)pyridin-2-yl]amino]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)CC3=C(C=CC(=C3)C)F)O

DOS

IR

Vibrations