Geometry & MOs

Info

ID:	328247
PubChem CID:	126700366
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	326.199428
ΔH_f, kcal/mol:	-49.24
Dipole, Da:	6.0
IP(EA), eV:	-9.0(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-N-butyl-5-tert-butyl-6-oxo-3-(1H-pyridin-2-ylidene)cyclohexa-1,4-diene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)N=C(N2)CCCC3=CC=C(C=C3)OC(C)(C)C=O

DOS

IR

Vibrations