Geometry & MOs

Info

ID:	382998
PubChem CID:	134974478
Reduced:	BrSi2O4N5C29H46 (1)
Stoich.:	AB2C4D5E29F46 (1)
Weight, g/mol:	180.126263
ΔH_f, kcal/mol:	-227.86
Dipole, Da:	3.48
IP(EA), eV:	-8.69(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-isocyano-2,3-dimethylcyclopropyl)morpholine

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](C[C@@H](O1)N2C3=C(C(=NC(=N3)N)OCC4=CC=CC=C4)N=C2Br)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations