Geometry & MOs

Info

ID:	314562
PubChem CID:	126622144
Reduced:	N4O4H20C21 (1)
Stoich.:	A4B4C20D21 (1)
Weight, g/mol:	421.175004
ΔH_f, kcal/mol:	-61.7
Dipole, Da:	5.93
IP(EA), eV:	-8.93(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(hydroxymethyl)-1H-imidazol-2-yl]-1-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carbonitrile

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1C#N)C(=CN=C2OC[C@@H]3CCC(=O)N3)C4=NC=CO4

DOS

IR

Vibrations