Geometry & MOs

Info

ID:	413455
PubChem CID:	135086404
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	295.193614
ΔH_f, kcal/mol:	-89.47
Dipole, Da:	2.54
IP(EA), eV:	-9.3(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-ditert-butylphenyl)-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)CCC(=O)N(C)OC)C

DOS

IR

Vibrations