Geometry & MOs

Info

ID:	366326
PubChem CID:	127319791
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	364.135782
ΔH_f, kcal/mol:	-54.42
Dipole, Da:	3.0
IP(EA), eV:	-8.86(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(1,3-benzothiazol-2-yl)cyclohex-3-en-1-yl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C(=O)N3CCN4C=CN=C4C3

DOS

IR

Vibrations