Geometry & MOs

Info

ID:	185893
PubChem CID:	77366221
Reduced:	ON2F4C29H32 (1)
Stoich.:	AB2C4D29E32 (1)
Weight, g/mol:	242.105528
ΔH_f, kcal/mol:	-164.02
Dipole, Da:	2.42
IP(EA), eV:	-8.8(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-phenylpyrazol-4-yl)but-2-enoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CCOC2=C(C=C(C=C2)F)F)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations