Geometry & MOs

Info

ID:	126115
PubChem CID:	50952502
Reduced:	N5C21H25 (1)
Stoich.:	A5B21C25 (1)
Weight, g/mol:	368.137222
ΔH_f, kcal/mol:	74.77
Dipole, Da:	5.0
IP(EA), eV:	-8.84(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-4-oxo-5-phenoxypyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC=CC(=N1)C2=C(N=CN2C[C@H]3CCCN3)C4=CC=CC=C4

DOS

IR

Vibrations