Geometry & MOs

Info

ID:	149356
PubChem CID:	53789028
Reduced:	ON3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	382.250795
ΔH_f, kcal/mol:	19.11
Dipole, Da:	5.45
IP(EA), eV:	-8.69(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[2-(2-hydroxypropan-2-yl)-4-propan-2-ylphenyl]methanone

Drug info:

PubChemData

Smile

CN1CCN(C1=O)C2=NC3=CC=CC=C3C=C2

DOS

IR

Vibrations