Geometry & MOs

Info

ID:	185720
PubChem CID:	77339554
Reduced:	SSiN4O8C26H34 (1)
Stoich.:	ABC4D8E26F34 (1)
Weight, g/mol:	349.204179
ΔH_f, kcal/mol:	-254.21
Dipole, Da:	15.12
IP(EA), eV:	-9.47(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[propyl(5,6,7,8-tetrahydrobenzo[f][1]benzofuran-7-yl)amino]ethyl]phenol

Drug info:

PubChemData

Smile

CC(C1C2CC(=C(N2C1=O)C(=O)O)SC3CCN(C3)C(=NC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C)O[Si](C)(C)C

DOS

IR

Vibrations