Geometry & MOs

Info

ID:	240504
PubChem CID:	93581078
Reduced:	N3O3C25H29 (1)
Stoich.:	A3B3C25D29 (1)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-47.59
Dipole, Da:	5.49
IP(EA), eV:	-8.21(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(2S)-3-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)OC[C@@H](CN(CC2=CC=C(C=C2)N(C)C)C3=CC=CC=N3)O

DOS

IR

Vibrations