Geometry & MOs

Info

ID:	320588
PubChem CID:	126661947
Reduced:	SN3O3C14H17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	174.100442
ΔH_f, kcal/mol:	-81.56
Dipole, Da:	2.64
IP(EA), eV:	-8.58(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4E)-3-(hydroxymethyl)-4-methoxyiminopyrrolidin-3-yl]methanol

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CSC(=N1)C(NC2=CC=CC=C2N)O

DOS

IR

Vibrations