Geometry & MOs

Info

ID:	240506
PubChem CID:	93581143
Reduced:	N2O4C25H34 (1)
Stoich.:	A2B4C25D34 (1)
Weight, g/mol:	413.139386
ΔH_f, kcal/mol:	-129.45
Dipole, Da:	8.6
IP(EA), eV:	-8.28(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(2S)-3-[(3-chlorophenyl)methyl-(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)OC[C@H](CN(C[C@@H]2CCCO2)CC3=CC=C(C=C3)N(C)C)O

DOS

IR

Vibrations