Geometry & MOs

Info

ID:	361740
PubChem CID:	127304556
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	394.146347
ΔH_f, kcal/mol:	-74.64
Dipole, Da:	2.54
IP(EA), eV:	-8.77(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3CCOC(C3)CN4C(=CC(=N4)C)C)C

DOS

IR

Vibrations