Geometry & MOs

Info

ID:	179032
PubChem CID:	76424095
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-132.0
Dipole, Da:	5.5
IP(EA), eV:	-8.43(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-4-[(3-methylpyridin-2-yl)methylamino]pyrrolidin-1-yl]-(4-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2CC(CN(C2)C(=O)CCC3=CNC4=CC=CC=C43)C(=O)O

DOS

IR

Vibrations