Geometry & MOs

Info

ID:	170181
PubChem CID:	75205242
Reduced:	N2F4O5H22C23 (1)
Stoich.:	A2B4C5D22E23 (1)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	-350.37
Dipole, Da:	2.71
IP(EA), eV:	-9.15(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoylamino]phenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)C=CC3=C(C=C(C=C3)OC(F)F)OC(F)F

DOS

IR

Vibrations