Geometry & MOs

Info

ID:	176245
PubChem CID:	76017145
Reduced:	NOF6C31H38 (1)
Stoich.:	ABC6D31E38 (1)
Weight, g/mol:	306.165121
ΔH_f, kcal/mol:	-322.57
Dipole, Da:	5.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.111417
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enoate

Drug info:

PubChemData

Smile

CC1C[N+]2(CC(C3C2(C1CC3)C)(C(C)(C)C)OCC4=CC=CC=C4)CC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations