Geometry & MOs

Info

ID:	46518
PubChem CID:	10524932
Reduced:	N8C21H34 (1)
Stoich.:	A8B21C34 (1)
Weight, g/mol:	398.202569
ΔH_f, kcal/mol:	107.97
Dipole, Da:	4.69
IP(EA), eV:	-9.29(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-5-methoxy-4-phenylmethoxyphenyl)-2-[tert-butyl(dimethyl)silyl]oxyacetonitrile

Drug info:

PubChemData

Smile

C1CN(CCN(CCN(CCN(C1)CCC#N)CCC#N)CCC#N)CCC#N

DOS

IR

Vibrations