Geometry & MOs

Info

ID:	29143
PubChem CID:	831905
Reduced:	NOC14H15 (1)
Stoich.:	ABC14D15 (1)
Weight, g/mol:	227.131014
ΔH_f, kcal/mol:	28.35
Dipole, Da:	1.8
IP(EA), eV:	-8.52(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(3-methylphenyl)but-3-enyl]furan-2-amine

Drug info:

PubChemData

Smile

C=CC[C@@H](C1=CC=CC=C1)NC2=CC=CO2

DOS

IR

Vibrations