Geometry & MOs

Info

ID:	320597
PubChem CID:	126661959
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	467.144967
ΔH_f, kcal/mol:	-37.07
Dipole, Da:	3.11
IP(EA), eV:	-8.29(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3Z)-4-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]hexa-1,3,5-trien-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)OC)C)NCC#C

DOS

IR

Vibrations