Geometry & MOs

Info

ID:	196098
PubChem CID:	78780809
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	257.08635
ΔH_f, kcal/mol:	-42.17
Dipole, Da:	6.58
IP(EA), eV:	-9.31(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethoxy)-3-methoxy-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

C1CCC(C1)CCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations