Geometry & MOs

Info

ID:	375626
PubChem CID:	134214155
Reduced:	NF3O3C11H18 (1)
Stoich.:	AB3C3D11E18 (1)
Weight, g/mol:	415.210721
ΔH_f, kcal/mol:	-327.68
Dipole, Da:	2.88
IP(EA), eV:	-9.81(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2S,4R)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidin-2-yl]ethoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](C(C1)CO)C(F)(F)F

DOS

IR

Vibrations