Geometry & MOs

Info

ID:	69225
PubChem CID:	46530477
Reduced:	OCl2N3C23H23 (1)
Stoich.:	AB2C3D23E23 (1)
Weight, g/mol:	432.204907
ΔH_f, kcal/mol:	23.79
Dipole, Da:	4.75
IP(EA), eV:	-9.45(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[cyclopropyl(phenyl)methyl]-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NCC2(CCC2)C3=CC=CC=C3)Cl)CC4=CC=CC=C4Cl

DOS

IR

Vibrations