Geometry & MOs

Info

ID:	322390
PubChem CID:	126669981
Reduced:	N2O6C23H36 (1)
Stoich.:	A2B6C23D36 (1)
Weight, g/mol:	316.097855
ΔH_f, kcal/mol:	-212.78
Dipole, Da:	2.65
IP(EA), eV:	-9.4(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(4-chlorophenyl)-N-methyl-N-[1-(4-nitrophenyl)ethenyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(=O)C1CN(C1)C(=O)O[C@@H]2CC[C@]3(CO3)C([C@@H]2OC)[C@@]4([C@H](O4)CC=C(C)C)C

DOS

IR

Vibrations