Geometry & MOs

Info

ID:	53253
PubChem CID:	14709899
Reduced:	NSC19H29 (1)
Stoich.:	ABC19D29 (1)
Weight, g/mol:	339.183444
ΔH_f, kcal/mol:	12.73
Dipole, Da:	0.93
IP(EA), eV:	-8.22(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-[(4R,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methanimine

Drug info:

PubChemData

Smile

CCCCC(C(=C)C(=C(C)C)SC)NCC1=CC=CC=C1

DOS

IR

Vibrations