Geometry & MOs

Info

ID:	177781
PubChem CID:	76230213
Reduced:	ClO2N7C21H22 (1)
Stoich.:	AB2C7D21E22 (1)
Weight, g/mol:	386.220557
ΔH_f, kcal/mol:	49.05
Dipole, Da:	3.26
IP(EA), eV:	-9.1(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-ethylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC(=C(C=C2)Cl)C(=O)NNC(=O)C3CC(NN3)C4=CC=CC=C4)C

DOS

IR

Vibrations