Geometry & MOs

Info

ID:	402405
PubChem CID:	135055859
Reduced:	O2C9H11 (2)
Stoich.:	A2B9C11 (2)
Weight, g/mol:	405.241627
ΔH_f, kcal/mol:	-138.59
Dipole, Da:	6.53
IP(EA), eV:	-8.79(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(Z)-1-(2-methoxyphenyl)-1-phenylbut-1-en-2-yl]pyrazol-1-yl]oxy-N,N-dimethylpropan-1-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)[C@@H]2CC(=O)C3=C2CCCC3)OC

DOS

IR

Vibrations