Geometry & MOs

Info

ID:	14369
PubChem CID:	410349
Reduced:	NOC25H33 (1)
Stoich.:	ABC25D33 (1)
Weight, g/mol:	363.256215
ΔH_f, kcal/mol:	-12.84
Dipole, Da:	2.58
IP(EA), eV:	-8.25(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(azepan-1-yl)-5-methyl-4,4-diphenylhexan-3-one

Drug info:

PubChemData

Smile

CCC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN3CCCCCC3

DOS

IR

Vibrations