Geometry & MOs

Info

ID:	280412
PubChem CID:	103849115
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	325.03136
ΔH_f, kcal/mol:	-139.19
Dipole, Da:	4.82
IP(EA), eV:	-9.23(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CCC(=O)NCC2(CCOC2)O

DOS

IR

Vibrations