Geometry & MOs

Info

ID:	382766
PubChem CID:	134974097
Reduced:	SSiN6O9C36H50 (1)
Stoich.:	ABC6D9E36F50 (1)
Weight, g/mol:	299.188529
ΔH_f, kcal/mol:	-370.08
Dipole, Da:	4.51
IP(EA), eV:	-8.92(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-diethoxy-1-phenylpropyl)aniline

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1[C@H](C(O[C@@H](C1NC(=O)[C@H](CCC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)SCCCC(=O)N)CN=[N+]=[N-])O

DOS

IR

Vibrations