Geometry & MOs

Info

ID:	390536
PubChem CID:	134999617
Reduced:	ClNSO3C15H16 (1)
Stoich.:	ABCD3E15F16 (1)
Weight, g/mol:	223.084458
ΔH_f, kcal/mol:	-103.08
Dipole, Da:	3.89
IP(EA), eV:	-8.98(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenyl)-4-nitrobutanal

Drug info:

PubChemData

Smile

C=CCS[C@H](CC(=O)N1CCOC1=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations