Geometry & MOs

Info

ID:	268520
PubChem CID:	103599743
Reduced:	O2N3C25H27 (1)
Stoich.:	A2B3C25D27 (1)
Weight, g/mol:	430.164105
ΔH_f, kcal/mol:	-18.11
Dipole, Da:	6.74
IP(EA), eV:	-8.94(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl] 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)NC3CCC4=C3C=CC=C4O)C

DOS

IR

Vibrations