Geometry & MOs

Info

ID:	134846
PubChem CID:	51767505
Reduced:	N3O5C26H33 (1)
Stoich.:	A3B5C26D33 (1)
Weight, g/mol:	344.209993
ΔH_f, kcal/mol:	-187.57
Dipole, Da:	4.19
IP(EA), eV:	-9.05(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E,2S)-1-(cyclohexylamino)-1-oxopent-3-en-2-yl]-2-methoxy-N-methylbenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=CC=C(C=C1)O)N(C)C(=O)[C@@H]2CCCN2C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations