Geometry & MOs

Info

ID:	314558
PubChem CID:	126622140
Reduced:	ClNO3C11H18 (1)
Stoich.:	ABC3D11E18 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-157.55
Dipole, Da:	2.77
IP(EA), eV:	-9.97(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(2S,3R)-3-ethyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide

Drug info:

PubChemData

Smile

CC1(N2[C@@H](C[C@@H](C2=O)COCCCl)CO1)C

DOS

IR

Vibrations