Geometry & MOs

Info

ID:	382482
PubChem CID:	134973678
Reduced:	BrN2O4C21H29 (1)
Stoich.:	AB2C4D21E29 (1)
Weight, g/mol:	211.139241
ΔH_f, kcal/mol:	-177.38
Dipole, Da:	5.25
IP(EA), eV:	-8.37(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-trimethylsilyloxycycloheptane-1-carbonitrile

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)OC)NCC1=C(C2=CC=CC=C2N1C(=O)OC(C)(C)C)Br

DOS

IR

Vibrations