Geometry & MOs

Info

ID:	231261
PubChem CID:	87573259
Reduced:	NSi2C17H36 (1)
Stoich.:	AB2C17D36 (1)
Weight, g/mol:	404.150285
ΔH_f, kcal/mol:	4.71
Dipole, Da:	2.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.782158
Charge, e:	0

Chem-info

IUPAC name:

[1-[1-[[6-chloro-5-(4-hydroxyphenyl)pyridin-3-yl]oxymethyl]cyclopropyl]-2,2-dimethylpropyl]carbamic acid

Drug info:

PubChemData

Smile

CCCC(NC(CC)/C(=C(/C)\[Si])/C)[Si](CC)(CC)CC

DOS

IR

Vibrations