Geometry & MOs

Info

ID:	385618
PubChem CID:	134979563
Reduced:	NSiO3C22H35 (1)
Stoich.:	ABC3D22E35 (1)
Weight, g/mol:	166.172151
ΔH_f, kcal/mol:	-170.45
Dipole, Da:	3.23
IP(EA), eV:	-8.7(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-butyl-2-methylidenecycloheptane

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1=C[C@H]([C@@H]([C@H](C1)C2=CC=CC=C2)C(=O)OC)N(C)C

DOS

IR

Vibrations