Geometry & MOs

Info

ID:	445902
PubChem CID:	135269900
Reduced:	FO2N3C18H28 (1)
Stoich.:	AB2C3D18E28 (1)
Weight, g/mol:	445.21139
ΔH_f, kcal/mol:	-101.35
Dipole, Da:	6.15
IP(EA), eV:	-8.78(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[N-[(Z)-1-[5-[3-(1-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-(methylideneamino)prop-1-enyl]-C-methylcarbonimidoyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=CC=C(C=C2)C(=O)NO)C)CC(C)(C)F

DOS

IR

Vibrations