Geometry & MOs

Info

ID:	375623
PubChem CID:	134214139
Reduced:	F2N3O4C19H23 (1)
Stoich.:	A2B3C4D19E23 (1)
Weight, g/mol:	373.143784
ΔH_f, kcal/mol:	-214.58
Dipole, Da:	8.14
IP(EA), eV:	-9.1(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(2S,4S)-3-cyclopropyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1C(=O)N)N=C)/C(=C\C)/OC[C@@H]2C[C@](C(=O)N2)(CF)F

DOS

IR

Vibrations