Geometry & MOs

Info

ID:	242929
PubChem CID:	99214348
Reduced:	N2O3C23H24 (1)
Stoich.:	A2B3C23D24 (1)
Weight, g/mol:	486.19215
ΔH_f, kcal/mol:	-58.9
Dipole, Da:	5.74
IP(EA), eV:	-9.0(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(5-chloro-2-methoxybenzoyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(CCOCC2)CNC(=O)C3=C4C=CC=NC4=CC=C3

DOS

IR

Vibrations