Geometry & MOs

Info

ID:	29425
PubChem CID:	833710
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	348.102254
ΔH_f, kcal/mol:	-105.63
Dipole, Da:	7.76
IP(EA), eV:	-8.77(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-(furan-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)C(=CN3CCN(CC3)C)C(=O)NC2=O)C

DOS

IR

Vibrations