Geometry & MOs

Info

ID:	29142
PubChem CID:	831903
Reduced:	N2O3C14H16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	213.115364
ΔH_f, kcal/mol:	-54.93
Dipole, Da:	2.44
IP(EA), eV:	-8.98(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)O[C@@H](C)C(=O)NC2=NOC(=C2)C

DOS

IR

Vibrations