Geometry & MOs

Info

ID:	80511
PubChem CID:	49834847
Reduced:	N3O5C32H40 (1)
Stoich.:	A3B5C32D40 (1)
Weight, g/mol:	293.235479
ΔH_f, kcal/mol:	-148.48
Dipole, Da:	4.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.824169
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-N-(4-hydroxycyclohexyl)dodeca-2,4-dienamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)NC(=O)CCCC2=CC(=C(C=C2)NC(=O)OC3CC[N+](CC3)(C)C)C4=CC=CC=C4)O

DOS

IR

Vibrations