Geometry & MOs

Info

ID:	326181
PubChem CID:	126686967
Reduced:	ClFO2N6C18H20 (1)
Stoich.:	ABC2D6E18F20 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-41.62
Dipole, Da:	4.24
IP(EA), eV:	-8.36(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-(hydroxymethyl)-N-(4-methoxyphenyl)-4-(2-phenylethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCOCC1)NC2=NC(=NC=C2F)C3=CNC4C3=CC(=CN4)Cl

DOS

IR

Vibrations