Geometry & MOs

Info

ID:	230937
PubChem CID:	87572282
Reduced:	NSiC19H22 (1)
Stoich.:	ABC19D22 (1)
Weight, g/mol:	390.03458
ΔH_f, kcal/mol:	117.77
Dipole, Da:	1.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.805846
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5-bromo-6-chloropyridin-3-yl)oxymethyl]cyclopropyl]methyl-tert-butylcarbamic acid

Drug info:

PubChemData

Smile

CCC(/C(=C(/C)\[Si])/C)N(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations