Geometry & MOs

Info

ID:	449033
PubChem CID:	135295410
Reduced:	OSN7C23H25 (1)
Stoich.:	ABC7D23E25 (1)
Weight, g/mol:	301.136117
ΔH_f, kcal/mol:	64.65
Dipole, Da:	8.56
IP(EA), eV:	-8.65(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethenyl-N-(5-piperazin-1-yl-3H-azepin-2-yl)-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CCCN(CCNC=O)C1=CC(=NC=C1)NC2=NC3=C(S2)N=C(C=C3)C4=CC(=NC=C4)C

DOS

IR

Vibrations