Geometry & MOs

Info

ID:	375632
PubChem CID:	134214201
Reduced:	FN3O4C21H26 (1)
Stoich.:	AB3C4D21E26 (1)
Weight, g/mol:	389.175084
ΔH_f, kcal/mol:	-200.31
Dipole, Da:	4.68
IP(EA), eV:	-8.86(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@]1(C[C@H](NC1=O)CCOC2=NC=CC3=CC(=C(C=C32)OC(C)C)C(=O)N)F

DOS

IR

Vibrations