Geometry & MOs

Info

ID:	343609
PubChem CID:	127266785
Reduced:	ClFNO4C16H19 (1)
Stoich.:	ABCD4E16F19 (1)
Weight, g/mol:	299.163377
ΔH_f, kcal/mol:	-222.97
Dipole, Da:	3.63
IP(EA), eV:	-9.99(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanoanilino)-N-(4-prop-2-enyloxan-4-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1(CCOC1)NC(=O)C2=C(C=CC(=C2)F)Cl

DOS

IR

Vibrations