Geometry & MOs

Info

ID:	126939
PubChem CID:	50984678
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	379.146681
ΔH_f, kcal/mol:	-26.19
Dipole, Da:	5.6
IP(EA), eV:	-8.65(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)N(C)CC3=NNC4=C3CCCC4)C

DOS

IR

Vibrations