Geometry & MOs

Info

ID:	126905
PubChem CID:	50983809
Reduced:	ON3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	373.146013
ΔH_f, kcal/mol:	37.16
Dipole, Da:	5.84
IP(EA), eV:	-8.69(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-6-one

Drug info:

PubChemData

Smile

COC[C@H]1CCC[C@H]1N2C=NC(=C2C3=CC=NC=C3)C4=CC=CC=C4

DOS

IR

Vibrations